 Entering Gaussian System, Link 0=g16
 Input=13_p-fenchone_STD_B3LYPDBJ-def2SVPDr.in
 Output=13_p-fenchone_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/13_p-fenchone_STD/Gau-21818.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/13_p-fenchone_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     21821.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=13_p-fenchone_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "13_p-fenchone_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.256274000000     -0.193232000000      0.100473000000
  C                                                 1.349487000000      1.010756000000     -0.889322000000
  C                                                -0.013711000000     -0.924147000000     -0.323910000000
  O                                                -0.081470000000     -1.984998000000     -0.891809000000
  C                                                -1.211573000000     -0.047150000000      0.092965000000
  C                                                -0.469997000000      1.179899000000      0.694048000000
  C                                                 0.233116000000      1.981577000000     -0.416911000000
  C                                                 2.489674000000     -1.059953000000      0.182168000000
  H                                                 1.229251000000      0.690503000000     -1.924862000000
  H                                                 2.339697000000      1.460602000000     -0.802597000000
  C                                                -2.035714000000     -0.783936000000      1.160201000000
  C                                                -2.115356000000      0.237323000000     -1.107895000000
  C                                                 0.749179000000      0.522371000000      1.370549000000
  H                                                -1.107153000000      1.783001000000      1.340408000000
  H                                                 0.663977000000      2.891365000000      0.002850000000
  H                                                -0.435453000000      2.286350000000     -1.218901000000
  H                                                 2.359792000000     -1.859595000000      0.913309000000
  H                                                 3.360905000000     -0.468217000000      0.470414000000
  H                                                 2.694356000000     -1.528857000000     -0.781354000000
  H                                                -1.463296000000     -0.990162000000      2.063972000000
  H                                                -2.391668000000     -1.735344000000      0.764373000000
  H                                                -2.901737000000     -0.179918000000      1.439283000000
  H                                                -1.570895000000      0.659830000000     -1.951248000000
  H                                                -2.910306000000      0.933429000000     -0.830639000000
  H                                                -2.574732000000     -0.690743000000     -1.448265000000
  H                                                 0.501923000000     -0.165536000000      2.178308000000
  H                                                 1.468832000000      1.252232000000      1.745219000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.561400   0.000000
     3  C    1.525516   2.433485   0.000000
     4  O    2.446346   3.319968   1.205199   0.000000
     5  C    2.472178   2.939912   1.542006   2.449932   0.000000
     6  C    2.284257   2.417890   2.381480   3.561245   1.554633
     7  C    2.458522   1.553045   2.917671   4.007270   2.542210
     8  C    1.509687   2.595371   2.557635   2.935969   3.838353
     9  H    2.209909   1.090579   2.591350   3.153331   3.251673
    10  H    2.173593   1.091054   3.384479   4.212145   3.960665
    11  C    3.508438   4.345233   2.512119   3.077721   1.536572
    12  C    3.607412   3.556840   2.525976   3.020281   1.529645
    13  C    1.543479   2.388704   2.354911   3.477807   2.408552
    14  H    3.320952   3.406338   3.360687   4.498070   2.217311
    15  H    3.142465   2.191480   3.888980   5.013484   3.487217
    16  H    3.278874   2.218507   3.359489   4.298454   2.787217
    17  H    2.157596   3.536822   2.835364   3.038739   4.088101
    18  H    2.154517   2.842894   3.496692   4.000778   4.607312
    19  H    2.151649   2.875754   2.812216   2.815222   4.268041
    20  H    3.447678   4.542837   2.794215   3.411126   2.199433
    21  H    4.015763   4.926663   2.738080   2.853468   2.166428
    22  H    4.368254   4.991294   3.464595   4.079977   2.164914
    23  H    3.595853   3.127214   2.753549   3.214951   2.192656
    24  H    4.415509   4.260899   3.478164   4.064883   2.168011
    25  H    4.162056   4.313584   2.806685   2.863755   2.155877
    26  H    2.210704   3.392990   2.665045   3.616132   2.701618
    27  H    2.199940   2.648275   3.349008   4.453876   3.406304
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.539898   0.000000
     8  C    3.746813   3.834300   0.000000
     9  H    3.160007   2.221052   3.015350   0.000000
    10  H    3.195797   2.204054   2.710250   1.756594   0.000000
    11  C    2.554489   3.909339   4.638089   4.727746   5.294785
    12  C    2.615847   3.005861   4.955148   3.472636   4.630023
    13  C    1.541553   2.364448   2.635398   3.334437   2.851769
    14  H    1.089716   2.218992   4.728749   4.161048   4.071509
    15  H    2.166280   1.090667   4.356402   2.979833   2.346032
    16  H    2.210159   1.087685   4.660162   2.411711   2.925171
    17  H    4.158642   4.587683   1.091267   3.979490   3.737438
    18  H    4.176375   4.070860   1.091916   3.409388   2.526611
    19  H    4.418970   4.302751   1.090936   2.894771   3.010498
    20  H    2.751817   4.226562   4.378588   5.097572   5.355952
    21  H    3.492335   4.701109   4.962118   5.121306   5.920750
    22  H    2.884066   4.236133   5.605543   5.398163   5.932113
    23  H    2.912051   2.712132   4.898708   2.800438   4.153717
    24  H    2.887997   3.339294   5.844582   4.288621   5.276479
    25  H    3.538180   4.011109   5.333183   4.074957   5.403405
    26  H    2.226623   3.378981   2.955624   4.254152   3.861027
    27  H    2.206638   2.594946   2.971775   3.720542   2.700591
                   11         12         13         14         15
    11  C    0.000000
    12  C    2.488689   0.000000
    13  C    3.083231   3.798618   0.000000
    14  H    2.735665   3.065906   2.244118   0.000000
    15  H    4.704852   4.000298   2.736785   2.480813   0.000000
    16  H    4.200907   2.651963   3.349661   2.693437   1.751418
    17  H    4.531939   5.339408   2.911512   5.046843   5.126046
    18  H    5.449677   5.742672   2.934727   5.078229   4.333455
    19  H    5.167021   5.134136   3.552736   5.470078   4.927045
    20  H    1.089492   3.463039   2.768328   2.888047   4.882598
    21  H    1.090211   2.733706   3.915309   3.789531   5.596724
    22  H    1.092117   2.698259   3.718484   2.661458   4.920410
    23  H    3.461449   1.089125   4.054130   3.508785   3.713879
    24  H    2.770866   1.092419   4.290225   2.947300   4.159774
    25  H    2.665205   1.090039   4.523908   4.006232   5.042467
    26  H    2.803313   4.220376   1.089416   2.662330   3.755466
    27  H    4.095127   4.692196   1.091318   2.661069   2.523965
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.435860   0.000000
    18  H    4.985354   1.770400   0.000000
    19  H    4.954085   1.758751   1.770923   0.000000
    20  H    4.750710   4.086067   5.107325   5.066768   0.000000
    21  H    4.892257   4.755417   5.897806   5.319732   1.762421
    22  H    4.385314   5.548121   6.343698   6.169856   1.765175
    23  H    2.114504   5.477544   5.608885   4.934711   4.342355
    24  H    2.847111   6.214199   6.556328   6.121888   3.764680
    25  H    3.673174   5.593994   6.242006   5.376848   3.696045
    26  H    4.293186   2.814558   3.343994   3.927468   2.134284
    27  H    3.671745   3.342058   2.857449   3.952207   3.705038
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.770600   0.000000
    23  H    3.712832   3.737916   0.000000
    24  H    3.152047   2.528272   1.767666   0.000000
    25  H    2.453665   2.950561   1.756339   1.769748   0.000000
    26  H    3.582789   3.482997   4.693723   4.680256   4.784734
    27  H    4.979069   4.609395   4.822318   5.090533   5.506714
                   26         27
    26  H    0.000000
    27  H    1.769900   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.50D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.256274   -0.193232    0.100473
      2          6           0        1.349487    1.010756   -0.889322
      3          6           0       -0.013711   -0.924147   -0.323910
      4          8           0       -0.081470   -1.984998   -0.891809
      5          6           0       -1.211573   -0.047150    0.092965
      6          6           0       -0.469997    1.179899    0.694048
      7          6           0        0.233116    1.981577   -0.416911
      8          6           0        2.489674   -1.059953    0.182168
      9          1           0        1.229251    0.690503   -1.924862
     10          1           0        2.339697    1.460602   -0.802597
     11          6           0       -2.035714   -0.783936    1.160201
     12          6           0       -2.115356    0.237323   -1.107895
     13          6           0        0.749179    0.522371    1.370549
     14          1           0       -1.107153    1.783001    1.340408
     15          1           0        0.663977    2.891365    0.002850
     16          1           0       -0.435453    2.286350   -1.218901
     17          1           0        2.359792   -1.859595    0.913309
     18          1           0        3.360905   -0.468217    0.470414
     19          1           0        2.694356   -1.528857   -0.781354
     20          1           0       -1.463296   -0.990162    2.063972
     21          1           0       -2.391668   -1.735344    0.764373
     22          1           0       -2.901737   -0.179918    1.439283
     23          1           0       -1.570895    0.659830   -1.951248
     24          1           0       -2.910306    0.933429   -0.830639
     25          1           0       -2.574732   -0.690743   -1.448265
     26          1           0        0.501923   -0.165536    2.178308
     27          1           0        1.468832    1.252232    1.745219
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5609830           1.1701666           0.9642173
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      5      6      7      8     11     12     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       682.9977865711 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0525357737 Hartrees.
 Nuclear repulsion after empirical dispersion term =      682.9452507973 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:04 2021, MaxMem=  5637144576 cpu:               5.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  9.41D-06  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               5.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "13_p-fenchone_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:10 2021, MaxMem=  5637144576 cpu:              25.1 elap:               4.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636859583 LenY=  5636720013
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.665701267649    
 DIIS: error= 3.12D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.665701267649     IErMin= 1 ErrMin= 3.12D-03
 ErrMax= 3.12D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.41D-03 BMatP= 8.41D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.12D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.219 Goal=   None    Shift=    0.000
 GapD=    0.219 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.43D-02 MaxDP=1.69D+00              OVMax= 1.34D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.18D-02    CP:  1.34D+00
 E= -465.672644034926     Delta-E=       -0.006942767277 Rises=F Damp=F
 DIIS: error= 9.08D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.672644034926     IErMin= 2 ErrMin= 9.08D-04
 ErrMax= 9.08D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-04 BMatP= 8.41D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.08D-03
 Coeff-Com:  0.312D-01 0.969D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.309D-01 0.969D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=6.41D-04 MaxDP=9.88D-02 DE=-6.94D-03 OVMax= 7.68D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.12D-04    CP:  1.35D+00  1.04D+00
 E= -465.672419509106     Delta-E=        0.000224525820 Rises=F Damp=F
 DIIS: error= 1.35D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.672644034926     IErMin= 2 ErrMin= 9.08D-04
 ErrMax= 1.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.58D-04 BMatP= 2.38D-04
 IDIUse=3 WtCom= 2.14D-01 WtEn= 7.86D-01
 Coeff-Com: -0.122D-01 0.613D+00 0.399D+00
 Coeff-En:   0.000D+00 0.656D+00 0.344D+00
 Coeff:     -0.261D-02 0.646D+00 0.356D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.08D-04 MaxDP=5.16D-03 DE= 2.25D-04 OVMax= 4.45D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.57D-05    CP:  1.35D+00  1.04D+00  7.62D-01
 E= -465.672843284425     Delta-E=       -0.000423775320 Rises=F Damp=F
 DIIS: error= 1.45D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.672843284425     IErMin= 4 ErrMin= 1.45D-04
 ErrMax= 1.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-05 BMatP= 2.38D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.45D-03
 Coeff-Com: -0.877D-02 0.330D+00 0.207D+00 0.471D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.875D-02 0.330D+00 0.207D+00 0.472D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=4.65D-05 MaxDP=3.96D-03 DE=-4.24D-04 OVMax= 6.29D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.48D-05    CP:  1.35D+00  1.03D+00  6.81D-01  1.01D+00
 E= -465.672856641320     Delta-E=       -0.000013356895 Rises=F Damp=F
 DIIS: error= 3.60D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.672856641320     IErMin= 5 ErrMin= 3.60D-05
 ErrMax= 3.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.67D-07 BMatP= 1.40D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.230D-02 0.546D-01 0.373D-01 0.198D+00 0.712D+00
 Coeff:     -0.230D-02 0.546D-01 0.373D-01 0.198D+00 0.712D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=2.01D-05 MaxDP=1.10D-03 DE=-1.34D-05 OVMax= 1.63D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.26D-05    CP:  1.35D+00  1.04D+00  6.98D-01  9.62D-01  7.14D-01
 E= -465.672857329925     Delta-E=       -0.000000688604 Rises=F Damp=F
 DIIS: error= 8.13D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.672857329925     IErMin= 6 ErrMin= 8.13D-06
 ErrMax= 8.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.77D-08 BMatP= 7.67D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.510D-03 0.341D-02 0.408D-02 0.591D-01 0.345D+00 0.589D+00
 Coeff:     -0.510D-03 0.341D-02 0.408D-02 0.591D-01 0.345D+00 0.589D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=4.92D-06 MaxDP=6.34D-04 DE=-6.89D-07 OVMax= 4.69D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.38D-06    CP:  1.35D+00  1.04D+00  7.00D-01  9.73D-01  7.80D-01
                    CP:  7.66D-01
 E= -465.672857416625     Delta-E=       -0.000000086700 Rises=F Damp=F
 DIIS: error= 1.87D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.672857416625     IErMin= 7 ErrMin= 1.87D-06
 ErrMax= 1.87D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.69D-09 BMatP= 9.77D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D-03-0.143D-02-0.301D-03 0.146D-01 0.114D+00 0.269D+00
 Coeff-Com:  0.605D+00
 Coeff:     -0.104D-03-0.143D-02-0.301D-03 0.146D-01 0.114D+00 0.269D+00
 Coeff:      0.605D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.09D-06 MaxDP=1.49D-04 DE=-8.67D-08 OVMax= 1.13D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.15D-07    CP:  1.35D+00  1.04D+00  7.00D-01  9.75D-01  7.85D-01
                    CP:  7.65D-01  8.16D-01
 E= -465.672857421220     Delta-E=       -0.000000004596 Rises=F Damp=F
 DIIS: error= 3.10D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.672857421220     IErMin= 8 ErrMin= 3.10D-07
 ErrMax= 3.10D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-10 BMatP= 4.69D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.594D-05-0.696D-03-0.333D-03 0.117D-02 0.187D-01 0.578D-01
 Coeff-Com:  0.204D+00 0.719D+00
 Coeff:     -0.594D-05-0.696D-03-0.333D-03 0.117D-02 0.187D-01 0.578D-01
 Coeff:      0.204D+00 0.719D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=2.48D-07 MaxDP=1.71D-05 DE=-4.60D-09 OVMax= 3.42D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.98D-07    CP:  1.35D+00  1.04D+00  7.00D-01  9.75D-01  7.86D-01
                    CP:  7.70D-01  8.38D-01  8.41D-01
 E= -465.672857421371     Delta-E=       -0.000000000151 Rises=F Damp=F
 DIIS: error= 1.21D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.672857421371     IErMin= 9 ErrMin= 1.21D-07
 ErrMax= 1.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-11 BMatP= 1.50D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.308D-05-0.233D-03-0.120D-03-0.396D-03 0.206D-02 0.121D-01
 Coeff-Com:  0.633D-01 0.367D+00 0.556D+00
 Coeff:      0.308D-05-0.233D-03-0.120D-03-0.396D-03 0.206D-02 0.121D-01
 Coeff:      0.633D-01 0.367D+00 0.556D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=6.44D-08 MaxDP=3.05D-06 DE=-1.51D-10 OVMax= 1.18D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.03D-08    CP:  1.35D+00  1.04D+00  7.00D-01  9.75D-01  7.86D-01
                    CP:  7.70D-01  8.34D-01  8.63D-01  7.68D-01
 E= -465.672857421388     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 2.82D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.672857421388     IErMin=10 ErrMin= 2.82D-08
 ErrMax= 2.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-12 BMatP= 3.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.191D-05-0.502D-04-0.202D-04-0.278D-03-0.543D-03 0.676D-03
 Coeff-Com:  0.994D-02 0.932D-01 0.218D+00 0.679D+00
 Coeff:      0.191D-05-0.502D-04-0.202D-04-0.278D-03-0.543D-03 0.676D-03
 Coeff:      0.994D-02 0.932D-01 0.218D+00 0.679D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.58D-08 MaxDP=1.81D-06 DE=-1.64D-11 OVMax= 2.08D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.01D-08    CP:  1.35D+00  1.04D+00  7.00D-01  9.75D-01  7.86D-01
                    CP:  7.70D-01  8.35D-01  8.68D-01  7.62D-01  8.00D-01
 E= -465.672857421373     Delta-E=        0.000000000015 Rises=F Damp=F
 DIIS: error= 8.39D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -465.672857421388     IErMin=11 ErrMin= 8.39D-09
 ErrMax= 8.39D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.05D-14 BMatP= 1.03D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.407D-06-0.524D-05 0.262D-05-0.725D-04-0.221D-03-0.227D-03
 Coeff-Com:  0.459D-03 0.123D-01 0.409D-01 0.200D+00 0.747D+00
 Coeff:      0.407D-06-0.524D-05 0.262D-05-0.725D-04-0.221D-03-0.227D-03
 Coeff:      0.459D-03 0.123D-01 0.409D-01 0.200D+00 0.747D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=2.60D-09 MaxDP=8.70D-08 DE= 1.52D-11 OVMax= 7.76D-08

 SCF Done:  E(RB3LYP) =  -465.672857421     A.U. after   11 cycles
            NFock= 11  Conv=0.26D-08     -V/T= 2.0118
 KE= 4.602511101330D+02 PE=-2.444106792765D+03 EE= 8.352375744132D+02
 Leave Link  502 at Fri Jul 16 13:13:59 2021, MaxMem=  5637144576 cpu:            1811.7 elap:             228.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.62791912D+02

 Leave Link  801 at Fri Jul 16 13:13:59 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8166 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 2.14D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 2.75D-01 9.62D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 6.59D-02 3.20D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 4.89D-03 1.00D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 5.06D-04 5.90D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.99D-05 1.03D-03.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 4.61D-07 1.30D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 8.35D-09 1.34D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 1.31D-10 1.55D-06.
      8 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 9.91D-13 1.56D-07.
      2 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D-14 1.27D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.125925D+03
      2  0.304250D+00  0.115787D+03
      3 -0.523016D+00  0.712509D+00  0.106492D+03
 Isotropic polarizability for W=    0.085645      116.07 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.897718D+00 -0.190824D+02  0.722023D+00
      2   0.843558D+01  0.297262D+02 -0.245605D+02
      3  -0.753786D+01 -0.106438D+02  0.238385D+02
      4   0.829584D+01  0.107986D+02  0.288689D+01
      5   0.134524D+02  0.204328D+01 -0.133810D+02
      6   0.191666D+01 -0.980831D+01  0.150334D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.161112D+01  0.819879D+01 -0.127175D+02
      2  -0.795336D+01 -0.137043D+00 -0.363954D+01
      3   0.164311D+02 -0.444710D+01 -0.220241D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.843610D+00  0.147522D+02 -0.256772D+02
      2  -0.127304D+02  0.970228D+00 -0.584312D+01
      3   0.273782D+02 -0.236300D+01 -0.126618D+00
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.138063D+01  0.191374D+00 -0.715789D+00
      2   0.191374D+00 -0.530908D-01  0.995894D+00
      3  -0.715789D+00  0.995894D+00  0.705383D+00
 OR G Eigenvalues:    -1.7641    -0.4412     1.4770  Iso=     0.2428
 Eigenvectors:
   (1)   0.868420  -0.318376   0.380110
   (2)   0.464206   0.791451  -0.397640
   (3)  -0.174240   0.521768   0.835104
 w=    0.085645 a.u., Optical Rotation Beta=      0.2428 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       75.63 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 5.51D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.71D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 4.48D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 5.44D-02 3.02D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 1.79D-03 1.77D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 2.69D-05 9.94D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 2.33D-07 7.58D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.59D-09 7.14D-06.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 5.35D-12 4.29D-07.
     14 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.14D-14 1.19D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   224 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.32D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.32D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.76D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125925D+03  0.304250D+00 -0.523016D+00
      2   0.304250D+00  0.115787D+03  0.712509D+00
      3  -0.523016D+00  0.712509D+00  0.106492D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.161112D+01  0.819879D+01 -0.127175D+02
      2  -0.795336D+01 -0.137043D+00 -0.363954D+01
      3   0.164311D+02 -0.444710D+01 -0.220241D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.897718D+00 -0.190824D+02  0.722023D+00
      2   0.843558D+01  0.297262D+02 -0.245605D+02
      3  -0.753786D+01 -0.106438D+02  0.238385D+02
      4   0.829584D+01  0.107986D+02  0.288689D+01
      5   0.134524D+02  0.204328D+01 -0.133810D+02
      6   0.191666D+01 -0.980831D+01  0.150334D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.429898D+01  0.357930D+01  0.685015D+00  0.367094D+01 -0.797456D+00
      2   0.357930D+01 -0.413788D+00  0.113314D+01 -0.797456D+00 -0.437909D+01
      3   0.685015D+00  0.113314D+01  0.229263D+01  0.145367D+01  0.116668D+01
                 6             7             8             9            10 
      1   0.145367D+01  0.219775D+01  0.234216D+01  0.135238D+01 -0.464370D+01
      2   0.116668D+01  0.234216D+01  0.214402D+01 -0.379552D+01 -0.490924D+01
      3  -0.383936D+01  0.135238D+01 -0.379552D+01 -0.162557D+01 -0.865153D-01
                11            12            13            14            15 
      1  -0.490924D+01 -0.865153D-01 -0.393806D+01  0.389052D+00  0.388154D+00
      2  -0.784397D+00  0.578282D+00  0.389052D+00  0.235789D+01 -0.163454D+01
      3   0.578282D+00  0.706994D+00  0.388154D+00 -0.163454D+01  0.279694D+01
                16            17            18            19            20 
      1  -0.199142D+01 -0.357715D-01 -0.645237D+00 -0.845303D+00 -0.168800D+01
      2  -0.357715D-01 -0.333401D+01  0.272491D+01 -0.168800D+01  0.221546D+01
      3  -0.645237D+00  0.272491D+01  0.427209D+01 -0.945824D+00  0.528370D+00
                21            22            23            24            25 
      1  -0.945824D+00 -0.535164D+01  0.217902D+01  0.389588D+00 -0.276955D+01
      2   0.528370D+00  0.217902D+01  0.491072D+01  0.217282D+01  0.625259D+00
      3  -0.587659D+00  0.389588D+00  0.217282D+01  0.794564D+00 -0.103718D+01
                26            27            28            29            30 
      1   0.625259D+00 -0.103718D+01 -0.255626D+00 -0.225101D+01 -0.105457D+01
      2   0.260004D+01  0.184401D+01 -0.225101D+01 -0.365808D+00 -0.132358D+00
      3   0.184401D+01  0.105765D+01 -0.105457D+01 -0.132358D+00 -0.107495D+00
                31            32            33            34            35 
      1  -0.539248D+00 -0.600422D+00 -0.876194D-01 -0.530525D+00 -0.337191D+00
      2  -0.600422D+00 -0.121227D+02 -0.370650D+01 -0.337191D+00 -0.376630D+01
      3  -0.876194D-01 -0.370650D+01 -0.238356D+01  0.189569D+00 -0.394914D+01
                36            37            38            39            40 
      1   0.189569D+00 -0.322542D+01  0.817503D+00  0.534658D+00  0.248140D+01
      2  -0.394914D+01  0.817503D+00 -0.232437D+01 -0.264479D+01 -0.385967D+01
      3  -0.392719D+01  0.534658D+00 -0.264479D+01  0.255718D+01 -0.428547D+01
                41            42            43            44            45 
      1  -0.385967D+01 -0.428547D+01  0.109485D+01 -0.386323D+01  0.357508D+01
      2  -0.145505D+01 -0.104192D+01 -0.386323D+01 -0.192557D+01  0.172733D+00
      3  -0.104192D+01  0.103472D+01  0.357508D+01  0.172733D+00 -0.399684D+00
                46            47            48            49            50 
      1   0.146623D+01  0.549526D+00 -0.187682D+01  0.444166D+00  0.337835D+01
      2   0.549526D+00  0.220164D+01  0.416174D+01  0.337835D+01  0.620102D+00
      3  -0.187682D+01  0.416174D+01 -0.568494D+00  0.497229D+01 -0.398177D-01
                51            52            53            54            55 
      1   0.497229D+01 -0.142321D+01  0.477833D+01  0.131542D+00  0.192765D+00
      2  -0.398177D-01  0.477833D+01  0.832851D+00 -0.219517D+01  0.177946D+00
      3  -0.104470D+01  0.131542D+00 -0.219517D+01 -0.323961D+00  0.112315D+01
                56            57            58            59            60 
      1   0.177946D+00  0.112315D+01  0.102179D+01 -0.230220D+01 -0.278709D+01
      2  -0.228831D+01 -0.325253D+01 -0.230220D+01 -0.360957D+01 -0.114730D+01
      3  -0.325253D+01  0.179568D+01 -0.278709D+01 -0.114730D+01  0.235262D+00
                61            62            63            64            65 
      1   0.959575D+00 -0.346740D+01  0.245445D+01 -0.272628D+01 -0.381588D+01
      2  -0.346740D+01 -0.173686D+01 -0.995905D+00 -0.381588D+01  0.243097D+00
      3   0.245445D+01 -0.995905D+00  0.459961D+00 -0.817362D+00 -0.151171D+01
                66            67            68            69            70 
      1  -0.817362D+00 -0.396078D+01 -0.953673D+00 -0.163834D+01 -0.412358D+00
      2  -0.151171D+01 -0.953673D+00  0.272924D+01 -0.178742D+01 -0.189948D+01
      3  -0.131921D+01 -0.163834D+01 -0.178742D+01  0.422503D+01 -0.222100D+01
                71            72            73            74            75 
      1  -0.189948D+01 -0.222100D+01  0.528002D+00  0.286953D+00 -0.906314D+00
      2  -0.187941D+01  0.436575D+01  0.286953D+00 -0.131935D+00 -0.307730D-01
      3   0.436575D+01  0.183387D+01 -0.906314D+00 -0.307730D-01 -0.358106D+00
                76            77            78            79            80 
      1  -0.635725D-01  0.247874D+00  0.354808D+00 -0.134644D+01  0.566202D-01
      2   0.247874D+00 -0.699300D+00 -0.839524D+00  0.566202D-01 -0.992421D+00
      3   0.354808D+00 -0.839524D+00 -0.198783D+01  0.117716D+01 -0.435823D+00
                81            82            83            84            85 
      1   0.117716D+01  0.891832D+01  0.362821D+01 -0.123286D+01  0.278248D+01
      2  -0.435823D+00  0.362821D+01  0.291210D+01 -0.761901D+00  0.192321D+01
      3  -0.809851D+01 -0.123286D+01 -0.761901D+00  0.108422D+01 -0.497369D+00
                86            87            88            89            90 
      1   0.192321D+01 -0.497369D+00  0.708691D+00  0.245871D+00  0.101417D+01
      2   0.203719D+01 -0.209443D+00  0.245871D+00  0.769518D+00  0.289165D+00
      3  -0.209443D+00  0.283019D+00  0.101417D+01  0.289165D+00 -0.588107D+00
                91            92            93            94            95 
      1   0.311386D+01 -0.183066D+01 -0.153999D+01 -0.324467D+01  0.344900D+01
      2  -0.183066D+01  0.197473D+01  0.317652D+01  0.344900D+01  0.325547D+01
      3  -0.153999D+01  0.317652D+01 -0.309051D+01  0.418940D+01  0.986988D+00
                96            97            98            99           100 
      1   0.418940D+01 -0.260657D+00  0.338065D+01 -0.336595D+01  0.277252D+01
      2   0.986988D+00  0.338065D+01  0.212040D+01  0.401791D-01 -0.171248D+01
      3  -0.109698D+01 -0.336595D+01  0.401791D-01 -0.166698D+01 -0.294341D+00
               101           102           103           104           105 
      1  -0.171248D+01 -0.294341D+00 -0.161662D+01  0.436250D+01  0.318837D+01
      2   0.299506D+01  0.252405D+01  0.436250D+01  0.114408D+01  0.199124D+01
      3   0.252405D+01 -0.351983D+01  0.318837D+01  0.199124D+01 -0.402884D+00
               106           107           108           109           110 
      1  -0.144668D+01  0.356707D+01 -0.330487D+01 -0.828417D+00 -0.314331D+01
      2   0.356707D+01  0.128946D+01 -0.465677D+00 -0.314331D+01 -0.167982D+01
      3  -0.330487D+01 -0.465677D+00  0.134522D+01 -0.103716D+00 -0.426857D+01
               111           112           113           114           115 
      1  -0.103716D+00 -0.325083D+01 -0.181486D+01 -0.413746D+01  0.577801D+00
      2  -0.426857D+01 -0.181486D+01  0.413691D+00 -0.227985D+01 -0.397261D+01
      3  -0.647803D+00 -0.413746D+01 -0.227985D+01  0.315441D+01 -0.106523D+01
               116           117           118           119           120 
      1  -0.397261D+01 -0.106523D+01 -0.409012D+01  0.206146D+01  0.226060D+01
      2  -0.104750D+01  0.365688D+01  0.206146D+01 -0.250970D+01 -0.168410D+01
      3   0.365688D+01 -0.123738D+01  0.226060D+01 -0.168410D+01 -0.189381D+01
               121           122           123           124           125 
      1   0.170463D+01 -0.236377D+01 -0.166721D+01  0.198242D+01 -0.180688D+01
      2  -0.236377D+01  0.395593D+01  0.196954D+01 -0.180688D+01  0.208767D+01
      3  -0.166721D+01  0.196954D+01  0.196660D+01 -0.208776D+01  0.240312D+01
               126           127           128           129           130 
      1  -0.208776D+01  0.148214D+01  0.185684D+01  0.118601D+00  0.155386D+01
      2   0.240312D+01  0.185684D+01  0.302499D+01  0.606940D+00  0.219122D+01
      3   0.347139D+01  0.118601D+00  0.606940D+00  0.239891D+00  0.386499D+00
               131           132           133           134           135 
      1   0.219122D+01  0.386499D+00  0.582400D+00  0.988094D+00  0.210823D+00
      2   0.943140D+01  0.120762D+01  0.988094D+00  0.298079D+01  0.154173D+01
      3   0.120762D+01  0.103875D+01  0.210823D+00  0.154173D+01  0.903167D+00
               136           137           138           139           140 
      1  -0.286278D+01  0.118317D+01 -0.175765D+01  0.590185D+00 -0.103022D+01
      2   0.118317D+01 -0.187391D+01  0.151970D+01 -0.103022D+01  0.274159D+01
      3  -0.175765D+01  0.151970D+01 -0.200348D+01  0.848338D+00 -0.139631D+01
               141           142           143           144           145 
      1   0.848338D+00 -0.204374D+01  0.126552D+01 -0.191942D+01  0.537525D-01
      2  -0.139631D+01  0.126552D+01 -0.221861D+01  0.221187D+01 -0.333116D+00
      3   0.130208D+01 -0.191942D+01  0.221187D+01 -0.374604D+01  0.651212D+00
               146           147           148           149           150 
      1  -0.333116D+00  0.651212D+00 -0.112441D+01  0.151798D+01 -0.462560D+00
      2  -0.378772D+00  0.209754D+00  0.151798D+01 -0.554848D+01  0.276298D+01
      3   0.209754D+00 -0.151515D+00 -0.462560D+00  0.276298D+01 -0.265764D+01
               151           152           153           154           155 
      1   0.156428D+01 -0.839717D+00  0.102648D+01  0.849007D+01  0.160301D+01
      2  -0.839717D+00  0.333761D+01 -0.295753D+01  0.160301D+01  0.121901D+01
      3   0.102648D+01 -0.295753D+01  0.294685D+01  0.150653D+01  0.373238D+00
               156           157           158           159           160 
      1   0.150653D+01  0.450213D+01  0.145883D+01  0.835301D+00  0.192359D+01
      2   0.373238D+00  0.145883D+01  0.146047D+01  0.531638D+00  0.448452D+00
      3   0.123533D+01  0.835301D+00  0.531638D+00  0.477324D+00  0.171231D+01
               161           162           163           164           165 
      1   0.448452D+00  0.171231D+01  0.171653D+01 -0.569071D+00 -0.119313D+01
      2   0.625658D+00 -0.146034D+00 -0.569071D+00  0.657934D+00  0.824986D+00
      3  -0.146034D+00  0.721190D+00 -0.119313D+01  0.824986D+00  0.106410D+01
               166           167           168           169           170 
      1  -0.110811D+01  0.153365D+01  0.106620D+01 -0.316085D+01  0.192313D+01
      2   0.153365D+01 -0.263984D+01 -0.141529D+01  0.192313D+01 -0.234135D+01
      3   0.106620D+01 -0.141529D+01 -0.210240D+01  0.232865D+01 -0.257958D+01
               171           172           173           174           175 
      1   0.232865D+01  0.156779D+01  0.256866D+00  0.112416D+01  0.145720D+00
      2  -0.257958D+01  0.256866D+00  0.681868D+00 -0.929870D+00 -0.243425D-01
      3  -0.486985D+01  0.112416D+01 -0.929870D+00  0.236413D+01 -0.564315D+00
               176           177           178           179           180 
      1  -0.243425D-01 -0.564315D+00  0.156750D+01 -0.251343D+00  0.102073D+01
      2  -0.120451D+01  0.112057D+01 -0.251343D+00  0.116973D+01 -0.160220D+01
      3   0.112057D+01 -0.116238D+01  0.102073D+01 -0.160220D+01  0.631801D+01
               181           182           183           184           185 
      1  -0.239158D+01 -0.170589D+01 -0.231551D-01 -0.273218D+01 -0.337460D+01
      2  -0.170589D+01 -0.207854D+01 -0.387130D+00 -0.337460D+01 -0.639228D+01
      3  -0.231551D-01 -0.387130D+00 -0.661509D-01 -0.150575D+00 -0.122349D+00
               186           187           188           189           190 
      1  -0.150575D+00 -0.136289D+01 -0.120818D+01 -0.934342D-01 -0.764094D+01
      2  -0.122349D+00 -0.120818D+01 -0.162160D+01 -0.713041D+00  0.162574D+01
      3  -0.115998D+01 -0.934342D-01 -0.713041D+00 -0.594686D+00  0.270866D+01
               191           192           193           194           195 
      1   0.162574D+01  0.270866D+01  0.415814D+01 -0.203986D+01 -0.196477D+01
      2  -0.155207D+01 -0.691968D+00 -0.203986D+01  0.138206D+01  0.660879D+00
      3  -0.691968D+00 -0.174116D+01 -0.196477D+01  0.660879D+00  0.170267D+01
               196           197           198           199           200 
      1   0.161320D+01 -0.773514D+00 -0.142783D+01  0.149372D+01  0.857011D+00
      2  -0.773514D+00  0.177785D+00  0.540294D+00  0.857011D+00  0.529718D+00
      3  -0.142783D+01  0.540294D+00  0.171638D+01 -0.699188D+00 -0.757119D+00
               201           202           203           204           205 
      1  -0.699188D+00  0.111501D+01  0.750004D-01 -0.327539D+00 -0.113747D+01
      2  -0.757119D+00  0.750004D-01  0.124726D+01 -0.141423D+01 -0.648235D+00
      3   0.231847D+01 -0.327539D+00 -0.141423D+01  0.171980D+01  0.758102D+00
               206           207           208           209           210 
      1  -0.648235D+00  0.758102D+00 -0.686271D+01  0.294343D+01 -0.320311D+00
      2  -0.150457D+01  0.174749D+01  0.294343D+01 -0.244758D+01 -0.913445D-01
      3   0.174749D+01 -0.570935D+01 -0.320311D+00 -0.913445D-01 -0.761450D+00
               211           212           213           214           215 
      1   0.411259D+01 -0.323927D+01  0.265988D-01  0.187181D+01 -0.964467D+00
      2  -0.323927D+01  0.299475D+01 -0.369202D+00 -0.964467D+00  0.584192D+00
      3   0.265988D-01 -0.369202D+00  0.935001D+00 -0.489886D+00  0.546444D+00
               216           217           218           219           220 
      1  -0.489886D+00 -0.322796D+01 -0.158923D+01 -0.132563D+01 -0.341609D+01
      2   0.546444D+00 -0.158923D+01 -0.182078D+01 -0.106402D+01 -0.277956D+01
      3   0.375759D+00 -0.132563D+01 -0.106402D+01 -0.814471D+00 -0.207645D+01
               221           222           223           224           225 
      1  -0.277956D+01 -0.207645D+01 -0.108971D+01 -0.114382D+01 -0.105037D+01
      2  -0.387591D+01 -0.176424D+01 -0.114382D+01 -0.119227D+01 -0.122092D+01
      3  -0.176424D+01 -0.226469D+01 -0.105037D+01 -0.122092D+01 -0.191331D+01
               226           227           228           229           230 
      1  -0.999339D+00 -0.403566D+00  0.997988D+00 -0.736882D+00  0.252846D-01
      2  -0.403566D+00 -0.156500D+00  0.632339D+00  0.252846D-01 -0.230472D+01
      3   0.997988D+00  0.632339D+00 -0.549493D+00  0.475035D+00  0.238120D+01
               231           232           233           234           235 
      1   0.475035D+00  0.104466D+01  0.383748D+00 -0.130776D+00  0.450549D+01
      2   0.238120D+01  0.383748D+00  0.152461D+01 -0.226462D+01  0.252449D+01
      3  -0.354284D+01 -0.130776D+00 -0.226462D+01  0.634182D+01  0.246679D+01
               236           237           238           239           240 
      1   0.252449D+01  0.246679D+01  0.280007D+01  0.244894D+01  0.207252D+01
      2   0.215071D+01  0.193912D+01  0.244894D+01  0.354961D+01  0.221576D+01
      3   0.193912D+01  0.252201D+01  0.207252D+01  0.221576D+01  0.197909D+01
               241           242           243 
      1   0.128701D+01  0.120695D+01  0.188750D+01
      2   0.120695D+01  0.131617D+01  0.123658D+01
      3   0.188750D+01  0.123658D+01  0.293726D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.589793D+00  0.283627D+01  0.453384D+00  0.623646D+00  0.226972D+01
      2  -0.306279D+01 -0.490687D-01  0.124640D+02  0.204226D+01  0.236343D+01
      3  -0.576571D+01 -0.706264D+01  0.842817D-01  0.377220D+01  0.628262D+01
                 6             7             8             9            10 
      1  -0.474257D+01  0.174293D+01  0.209048D+01 -0.448511D+00  0.582423D+01
      2  -0.664234D+01 -0.557400D+00 -0.100888D+02 -0.426725D+01 -0.162382D+01
      3  -0.227179D+01 -0.425353D+01 -0.755628D+01  0.511140D+01  0.932642D+01
                11            12            13            14            15 
      1  -0.169985D+01 -0.174509D+01 -0.153851D+01  0.150678D+01 -0.142568D+01
      2  -0.267512D+00  0.316730D+01 -0.425322D+01 -0.167234D+01  0.635947D+01
      3  -0.467807D+01 -0.162897D+01 -0.263701D+01 -0.375876D+01  0.337610D+01
                16            17            18            19            20 
      1  -0.881873D+00  0.444266D+01 -0.877082D+01 -0.129738D+00 -0.146311D+01
      2  -0.416010D+01  0.841414D+01  0.112040D+02  0.244756D+01  0.383387D+01
      3  -0.421538D+00  0.869281D+01 -0.500847D+01  0.268886D+01  0.956532D+00
                21            22            23            24            25 
      1  -0.155147D+01  0.115012D+01 -0.733236D+01  0.639097D+01 -0.797559D+00
      2  -0.714112D+01  0.992095D+01 -0.128255D+01  0.307058D+01 -0.199016D+02
      3  -0.288043D+01  0.705872D+01 -0.401067D+01  0.757735D+00 -0.840711D+01
                26            27            28            29            30 
      1   0.989938D+01  0.917601D+01 -0.270384D+00  0.761256D+00 -0.201015D+00
      2   0.364830D+01  0.210421D+01 -0.141586D+01 -0.160540D+01  0.340765D+01
      3   0.451315D+00 -0.102799D+01 -0.164721D+00  0.592053D+00  0.202835D+01
                31            32            33            34            35 
      1  -0.409200D+00  0.411166D+01 -0.103396D+02 -0.107722D+00 -0.331700D+00
      2  -0.919731D+01  0.230597D+00  0.176218D+01  0.724019D+00  0.561644D-01
      3   0.126367D+02  0.300076D+01  0.144884D+01  0.946644D+01  0.973619D+00
                36            37            38            39            40 
      1  -0.710866D+01  0.897663D+00 -0.247289D+01  0.310662D+01 -0.785306D+00
      2   0.606538D+00  0.142890D+01  0.314708D+01  0.130183D+01  0.727903D+01
      3   0.110893D+01 -0.147871D+01 -0.122361D+02 -0.483292D+01 -0.203178D+01
                41            42            43            44            45 
      1  -0.160234D+01 -0.652660D+01  0.214844D+01  0.309545D+01 -0.340650D+00
      2   0.424799D+01 -0.499691D+01 -0.931505D+01  0.611896D+00 -0.192894D+01
      3  -0.105889D+01 -0.468607D+01 -0.736462D+01 -0.185725D+01  0.568372D+00
                46            47            48            49            50 
      1   0.397954D+01 -0.493015D+01  0.564791D+01 -0.576356D+01  0.345340D+00
      2   0.190506D+01 -0.197869D+01  0.532574D+01 -0.480110D+01 -0.122238D+01
      3  -0.262572D+01 -0.202572D+01 -0.641101D+00  0.503090D+01  0.489984D+01
                51            52            53            54            55 
      1   0.108383D-01  0.587038D+01  0.790265D+01 -0.659976D+00 -0.488412D+01
      2  -0.356210D+01 -0.206938D+01 -0.505085D+01 -0.318842D+00 -0.983549D+00
      3   0.628261D+01  0.714853D+00  0.608984D+01 -0.204732D+01  0.693926D+00
                56            57            58            59            60 
      1   0.119951D+02 -0.500983D+01  0.110450D+02  0.583892D+01 -0.250755D+01
      2   0.413134D+00  0.298572D+01  0.761402D+00 -0.126767D+01 -0.181589D+01
      3  -0.180380D+01  0.332638D+01  0.655766D+01 -0.611696D+01 -0.906972D+01
                61            62            63            64            65 
      1  -0.672520D+01  0.551241D+01 -0.233423D+01 -0.644153D+00 -0.261174D+01
      2  -0.683174D+00 -0.239092D+01  0.249194D+01 -0.737446D+00 -0.399009D+01
      3   0.342399D+01 -0.110488D+02  0.828140D+01  0.149809D+02  0.200003D+01
                66            67            68            69            70 
      1  -0.182740D+01 -0.259030D+01 -0.213874D+01  0.436003D+01 -0.560343D+01
      2  -0.147969D+01 -0.561798D+01 -0.475644D+01  0.124249D+02 -0.100940D+02
      3   0.583546D+01  0.111021D+02 -0.830009D+01  0.768279D+01  0.605467D+01
                71            72            73            74            75 
      1   0.892929D+01  0.319275D+01  0.692878D+00  0.707873D+00  0.534363D+00
      2   0.135030D+02  0.558664D+01 -0.214575D+01 -0.183614D+00 -0.126816D+01
      3   0.725716D+01 -0.108965D+02 -0.759919D+00 -0.143475D+00 -0.668909D+00
                76            77            78            79            80 
      1  -0.103437D+00  0.288856D+01  0.194996D+01 -0.139918D+01  0.504485D+01
      2  -0.538011D+00 -0.158516D+01 -0.371073D+01 -0.270212D+01 -0.940487D+00
      3   0.415577D+00  0.196321D+01  0.120449D+01 -0.109199D+01  0.204924D+01
                81            82            83            84            85 
      1   0.972963D+01 -0.172471D+01 -0.216524D+01 -0.149894D+01 -0.142762D+01
      2  -0.137862D+02  0.518180D+01 -0.511474D+00  0.410097D+01  0.271009D+01
      3   0.193197D+01  0.292454D+01 -0.600833D+01  0.785075D+00  0.147026D+01
                86            87            88            89            90 
      1  -0.159446D+01 -0.132091D+01 -0.785238D+00 -0.298468D+00  0.457554D+00
      2   0.130479D+01  0.504136D+00  0.697204D+00 -0.730724D+00 -0.621739D+00
      3  -0.242390D+01 -0.507509D+00  0.318800D-01 -0.207369D+01  0.317428D+00
                91            92            93            94            95 
      1  -0.348693D+01  0.663210D+01  0.196868D+00  0.847526D+01  0.778028D+01
      2   0.407306D+00 -0.624374D+01  0.114520D+02 -0.956657D+01 -0.694617D+01
      3  -0.667841D+01  0.436849D+01  0.963240D+01  0.109864D+02  0.661902D+01
                96            97            98            99           100 
      1  -0.452561D+00  0.139834D+01  0.493366D+01 -0.389250D+01  0.929326D+00
      2  -0.104618D+01  0.793055D+01 -0.494807D+01  0.115745D+02  0.373353D+01
      3   0.956369D+00  0.104381D+02  0.182298D+01  0.310791D+01 -0.286444D+01
               101           102           103           104           105 
      1  -0.402766D+01 -0.431597D+01 -0.693503D+01 -0.222711D+01 -0.555478D+01
      2  -0.835392D+01  0.111118D+02 -0.884136D+01 -0.200548D+01  0.568710D+01
      3   0.599362D+01  0.713009D+01  0.142258D+02  0.369844D+01  0.712160D+01
               106           107           108           109           110 
      1  -0.518189D+01 -0.132942D+01  0.277890D+00 -0.673614D+01  0.148725D+00
      2   0.649260D+01  0.527379D+01 -0.891787D+01 -0.379127D+01 -0.335376D+00
      3   0.108687D+02  0.439251D+01 -0.235353D+01  0.340868D+01 -0.437378D+01
               111           112           113           114           115 
      1  -0.833713D+01 -0.774730D+00 -0.780176D+00 -0.105056D+02 -0.672243D+01
      2  -0.866254D+00  0.126469D+01 -0.222431D+01  0.106942D+02 -0.515955D+01
      3   0.267123D+01  0.103293D+01 -0.377349D+01  0.142718D-01  0.401579D+01
               116           117           118           119           120 
      1  -0.289617D+01  0.630879D+01 -0.157821D+01 -0.795093D+00  0.220928D+01
      2   0.108211D+02 -0.228517D+01  0.331365D+01 -0.969938D+00  0.105674D+01
      3  -0.530732D+00 -0.407911D+01 -0.591722D+01 -0.116594D+01  0.213977D+01
               121           122           123           124           125 
      1   0.468744D+00  0.142512D+01 -0.300625D+01  0.134118D+01  0.236525D+00
      2  -0.108272D+01  0.906670D+00 -0.100829D+01 -0.293303D+01  0.350424D+00
      3   0.309398D+01  0.547934D-01 -0.117529D+01  0.302113D+01  0.358144D-01
               126           127           128           129           130 
      1  -0.382361D+01 -0.826853D+00 -0.351510D+01 -0.160756D+01 -0.223353D+01
      2  -0.991616D+00  0.515349D+00  0.552855D+00  0.145635D+01  0.459756D+00
      3  -0.133224D+01  0.417660D+01  0.232308D+01  0.331916D+00  0.598177D+01
               131           132           133           134           135 
      1  -0.712771D+01 -0.623352D+01 -0.507586D+00 -0.390361D+01 -0.401835D+01
      2   0.113880D+01  0.113851D+01 -0.235002D+00  0.690914D+00 -0.140110D+00
      3   0.299816D+01  0.912497D+00  0.217532D+01  0.172427D+01 -0.127451D+00
               136           137           138           139           140 
      1   0.504873D+01 -0.195559D+01  0.595810D+01 -0.134969D+01  0.199653D+01
      2  -0.372544D+01  0.505125D+00 -0.912398D+00  0.659348D+00 -0.118288D+01
      3  -0.999745D+01  0.134615D+01 -0.478434D+01  0.261448D+01 -0.220939D+01
               141           142           143           144           145 
      1  -0.325339D+01  0.536077D+01 -0.203491D+01  0.973274D+01  0.717834D+00
      2   0.138903D+00 -0.484064D+01  0.104888D+01 -0.168828D+01  0.183477D+01
      3   0.270188D+01 -0.732481D+01  0.334620D+01 -0.568961D+01  0.110585D+01
               146           147           148           149           150 
      1   0.126636D-01 -0.411758D+00 -0.399925D+00  0.178465D+01 -0.530512D+01
      2   0.193006D+00 -0.894708D-01  0.766335D-02  0.737884D+01 -0.788776D+01
      3   0.494328D+00 -0.142510D+01 -0.317333D+00  0.143523D+02 -0.773845D+01
               151           152           153           154           155 
      1   0.800244D+00 -0.169725D+01  0.438896D+01  0.197746D+01  0.136816D+01
      2   0.197462D+00 -0.791826D+01  0.815056D+01  0.235434D+01  0.880833D+00
      3  -0.971267D+00 -0.920895D+01  0.764489D+01 -0.125941D+02 -0.836738D+01
               156           157           158           159           160 
      1   0.930847D+00  0.117446D+01  0.131480D+01 -0.412614D+00  0.172979D+01
      2   0.559764D+01  0.167433D+01  0.116501D+01  0.228441D+01  0.292174D+01
      3  -0.289442D+01 -0.676657D+01 -0.723767D+01 -0.230713D+01 -0.351112D+01
               161           162           163           164           165 
      1   0.937634D+00  0.490804D+00 -0.175587D+01  0.110662D+01  0.193574D+01
      2  -0.495743D+00  0.211182D+01 -0.368495D+01  0.284673D+01  0.421973D+01
      3  -0.307295D+01 -0.113583D+01  0.384370D+00 -0.197039D+01 -0.855497D+00
               166           167           168           169           170 
      1   0.171029D+01 -0.149931D+01 -0.460063D+01  0.332246D+01 -0.180697D+01
      2   0.250306D+01 -0.419371D+01 -0.697252D+01  0.418755D+01 -0.748211D+01
      3  -0.111140D+01  0.607698D+01  0.298583D+01 -0.542638D+00  0.573587D+01
               171           172           173           174           175 
      1  -0.796621D+01  0.266383D+01  0.120585D+01  0.181222D+01 -0.364510D+00
      2  -0.150014D+02 -0.870669D+01  0.992520D+00 -0.719001D+01  0.159656D+01
      3   0.539490D+01 -0.325526D+01  0.413503D+00 -0.357020D+01  0.100658D+01
               176           177           178           179           180 
      1  -0.100283D+01 -0.620297D+00  0.135393D+01  0.232171D+01  0.481505D+01
      2  -0.253619D+01  0.318685D+01 -0.919840D+01  0.359346D+01 -0.164869D+02
      3  -0.241733D+01  0.280559D+01 -0.363515D+01  0.245840D+01 -0.539327D+01
               181           182           183           184           185 
      1  -0.275473D+01 -0.339303D+01 -0.113957D+01 -0.458660D+01 -0.910847D+01
      2   0.286059D+01  0.293894D+01  0.107686D+01  0.352520D+01  0.482410D+01
      3  -0.156297D+01 -0.461145D+01 -0.777562D+00 -0.293034D+01 -0.137309D+02
               186           187           188           189           190 
      1  -0.450868D+01 -0.963183D+00 -0.221361D+01 -0.283218D+01  0.401842D+01
      2   0.448511D+01 -0.495206D-02  0.287025D+01  0.216391D+01  0.220793D+01
      3  -0.621697D+00 -0.634139D+00 -0.349701D+01 -0.215249D+01  0.791996D+01
               191           192           193           194           195 
      1  -0.390807D+01 -0.156269D+01 -0.353147D+01  0.286304D+01  0.337644D+00
      2  -0.574972D+00  0.365760D+01  0.337583D+00  0.646372D+00 -0.378267D+01
      3  -0.750758D+01 -0.321287D+01 -0.494041D+01  0.560696D+01  0.168837D+01
               196           197           198           199           200 
      1  -0.229730D+01  0.162851D+01  0.202230D+01 -0.203579D+01 -0.220515D+01
      2  -0.342330D+00 -0.155992D+00 -0.296479D+01  0.692703D+01  0.397625D+01
      3  -0.322398D+01  0.187087D+01  0.215725D+01  0.330810D+01  0.144734D+01
               201           202           203           204           205 
      1   0.599764D+00 -0.122296D+01 -0.272274D+01  0.683802D+00  0.139333D+01
      2  -0.627144D+01  0.423417D+01  0.450741D+01 -0.524316D+01 -0.742989D+01
      3  -0.233451D+01  0.240639D+01  0.371130D+01 -0.373684D+01 -0.305768D+01
               206           207           208           209           210 
      1   0.426085D+01 -0.741060D+00 -0.322643D+01  0.317104D+01  0.182847D+01
      2  -0.600873D+01  0.149990D+02 -0.504643D+01  0.330958D+01  0.407683D+01
      3  -0.374955D+01  0.479628D+01  0.466221D+01 -0.739838D+01 -0.430770D+00
               211           212           213           214           215 
      1   0.365682D+01 -0.335902D+01 -0.171650D+01  0.998164D+00  0.121333D+00
      2   0.362215D+01 -0.174805D+01 -0.429030D+01  0.652489D+00 -0.156115D+01
      3  -0.514437D+01  0.802980D+01 -0.927280D+00 -0.195168D+01  0.184849D+01
               216           217           218           219           220 
      1  -0.135147D+01  0.293883D+01  0.331380D+01  0.122342D+01  0.376734D+01
      2  -0.206120D+01 -0.400921D+00  0.615291D+00  0.172076D+01  0.319255D+00
      3   0.118354D+01 -0.460601D+01 -0.612680D+01 -0.319923D+01 -0.475049D+01
               221           222           223           224           225 
      1   0.749903D+01  0.598603D+00  0.218150D+01  0.322899D+01  0.149298D+01
      2   0.151748D+01  0.459647D+01 -0.164491D+00  0.127930D+01  0.378433D+01
      3  -0.121800D+02 -0.441865D+01 -0.312894D+01 -0.404697D+01 -0.329298D+01
               226           227           228           229           230 
      1  -0.174647D+01 -0.196155D+01  0.190086D+01 -0.431796D+00 -0.672977D+01
      2   0.472864D+01  0.239778D+01 -0.174615D+01  0.462756D+01  0.282820D+01
      3   0.585713D+00 -0.511798D-01 -0.173822D+00  0.233409D+01  0.270866D+01
               231           232           233           234           235 
      1   0.481773D+01  0.132253D+01  0.726575D+01 -0.699380D+01  0.270156D+01
      2  -0.541297D+01 -0.522856D+01 -0.359061D+01  0.629006D+01 -0.478604D+01
      3  -0.222512D+01 -0.877216D+00 -0.102531D+01  0.251543D+01  0.195352D+01
               236           237           238           239           240 
      1   0.384470D+01  0.870556D+00  0.264102D+01  0.524437D+01  0.637708D+00
      2  -0.118301D+01  0.203078D+01 -0.364679D+01 -0.436364D+00  0.389871D-01
      3  -0.229799D+01 -0.121697D-01  0.186350D+01 -0.263292D+01 -0.515697D+00
               241           242           243 
      1   0.115957D+01  0.255387D+01 -0.445569D+00
      2  -0.174427D+01 -0.950918D+00  0.655212D+00
      3   0.186498D+00 -0.108191D+01  0.417085D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.160121D+02  0.707544D+01 -0.166019D+01  0.129477D+02  0.225201D+00
      2  -0.100558D+02 -0.445017D+01 -0.273350D+01 -0.807943D+01  0.579018D+01
      3  -0.595633D+01 -0.262527D+01  0.439368D+01 -0.486825D+01 -0.601539D+01
      4   0.125734D+02  0.400176D+01  0.132954D+01  0.229910D+01 -0.440842D+01
      5  -0.180436D+01  0.369116D+01  0.104668D+02  0.736982D+01  0.867877D+01
      6  -0.118389D+01  0.105862D+01  0.620616D+01  0.445490D+01  0.701785D+01
                 6             7             8             9            10 
      1   0.386380D+01  0.348115D+01  0.652968D+01  0.735290D+01 -0.202594D+02
      2   0.238411D-01 -0.192605D+01 -0.133117D+00 -0.209303D+01  0.282121D+01
      3  -0.388764D+01 -0.155510D+01 -0.639656D+01 -0.525988D+01  0.174382D+02
      4   0.518387D+01  0.499687D+01  0.746105D+01 -0.125210D+02 -0.263074D+02
      5  -0.660178D+01  0.662196D+01 -0.129891D+02 -0.173724D+01  0.918177D+01
      6  -0.138673D+01 -0.418755D+01 -0.311471D+01 -0.125740D+01  0.757456D+01
                11            12            13            14            15 
      1  -0.175274D+02  0.119674D+01 -0.183540D+02 -0.514879D+01  0.780161D+01
      2   0.132085D+02  0.240457D+01  0.112626D+02 -0.147524D+01  0.881886D+00
      3   0.431890D+01 -0.360131D+01  0.709137D+01  0.662403D+01 -0.868349D+01
      4  -0.129838D+02  0.309620D+01 -0.120320D+02  0.327239D+01 -0.432805D+01
      5   0.964597D+01  0.173287D+01  0.619061D+01 -0.652881D+01  0.778104D+01
      6   0.664735D+01 -0.157516D+01  0.679887D+00 -0.661891D+01  0.508658D+01
                16            17            18            19            20 
      1  -0.584276D+01  0.412706D+01  0.588590D+01 -0.199876D+02 -0.575178D+00
      2   0.314578D+01  0.350858D+00  0.142724D+02  0.125623D+02 -0.222500D+01
      3   0.269698D+01 -0.447792D+01 -0.201583D+02  0.742534D+01  0.280018D+01
      4  -0.248487D+01 -0.604776D+01  0.831818D+01 -0.213480D+01 -0.443095D+01
      5   0.152769D+01  0.103618D+02  0.909674D+01  0.137511D+01 -0.146861D+01
      6   0.296532D+01  0.847084D+01 -0.665493D+00  0.117416D+01 -0.190447D+01
                21            22            23            24            25 
      1  -0.687781D+00 -0.302132D+01  0.181509D+02  0.631325D+01 -0.370153D+01
      2   0.887992D+00  0.514843D+00 -0.267601D+02 -0.122687D+01  0.383803D+01
      3  -0.200211D+00  0.250648D+01  0.860920D+01 -0.508638D+01 -0.136500D+00
      4  -0.901803D-01 -0.831911D+01  0.348964D+01 -0.698914D-01 -0.712717D+01
      5  -0.731052D+01 -0.997668D+01 -0.389082D+01  0.346721D+01 -0.106319D+01
      6  -0.756904D+00 -0.347853D+00 -0.185256D+02 -0.116000D+02 -0.196034D+00
                26            27            28            29            30 
      1   0.812274D+01  0.289436D+01  0.124850D+01 -0.110112D+01 -0.111353D+01
      2  -0.146841D+02 -0.599329D+01  0.282740D+01  0.176374D+01  0.186737D+00
      3   0.656136D+01  0.309893D+01 -0.407590D+01 -0.662621D+00  0.926789D+00
      4  -0.684504D+00  0.254401D+01  0.150158D+01  0.125832D+02  0.350244D+01
      5   0.173298D+01 -0.161588D+00 -0.948707D-01  0.308228D+01  0.716867D+01
      6  -0.328722D+01 -0.111194D+02  0.439761D+01  0.672685D+00  0.148145D+01
                31            32            33            34            35 
      1   0.172261D+01 -0.428401D+02 -0.149290D+02  0.459793D+00 -0.172658D+02
      2  -0.481865D+00  0.635976D+02  0.118560D+02 -0.997122D+00  0.134943D+02
      3  -0.124075D+01 -0.207575D+02  0.307302D+01  0.537328D+00  0.377151D+01
      4   0.152233D+02  0.899703D-01 -0.770363D+00  0.543398D+01 -0.903451D+00
      5   0.506458D+01  0.184691D+01  0.108575D+01  0.815847D+01  0.226389D+01
      6  -0.235262D+00  0.296466D+02  0.234976D+02  0.101619D+01  0.255468D+02
                36            37            38            39            40 
      1  -0.183485D+02  0.134604D+02  0.240360D+01  0.627469D+00 -0.527916D+01
      2   0.790728D+01 -0.441161D+01 -0.198949D+01  0.138274D+01  0.612714D+01
      3   0.104412D+02 -0.904882D+01 -0.414106D+00 -0.201021D+01 -0.847981D+00
      4  -0.318788D+00 -0.394314D+01  0.893876D+01  0.109473D+02  0.584852D+01
      5   0.257204D+01 -0.516289D+01  0.929017D+01 -0.736383D+01  0.155324D+02
      6   0.233544D+02  0.502002D+01 -0.983413D+00 -0.769729D+01  0.156677D+01
                41            42            43            44            45 
      1   0.856289D+01  0.114209D+02 -0.817629D+00  0.127569D+02 -0.139814D+02
      2  -0.418604D+01 -0.108666D+02 -0.453073D+00 -0.969721D+01  0.934447D+01
      3  -0.437685D+01 -0.554344D+00  0.127070D+01 -0.305965D+01  0.463694D+01
      4  -0.208856D+01  0.449863D+01  0.155569D+02  0.867659D+00 -0.445850D+01
      5   0.424611D+01 -0.972237D+01 -0.166743D+02 -0.209063D+01 -0.158788D+01
      6   0.682166D+00 -0.174541D+01 -0.474900D+01 -0.171853D+01  0.642974D+01
                46            47            48            49            50 
      1  -0.899679D+00 -0.602623D+01 -0.890816D+01 -0.876139D+01 -0.487166D+01
      2   0.473751D+01  0.260902D+01  0.123382D+02  0.370242D+01  0.456863D+01
      3  -0.383783D+01  0.341721D+01 -0.343007D+01  0.505897D+01  0.303030D+00
      4   0.661722D+01 -0.529641D+01 -0.713027D+01 -0.652534D+01  0.598585D+01
      5   0.299138D+01 -0.216025D+01 -0.745489D+01 -0.341980D+01  0.457596D+01
      6  -0.439019D+01  0.159522D+02  0.624668D+01  0.126080D+02 -0.315845D+01
                51            52            53            54            55 
      1  -0.180319D+01 -0.867507D+01 -0.423747D+01  0.490547D+01 -0.172595D-01
      2   0.404555D+01  0.109542D+02  0.699048D+01 -0.562832D+01  0.841923D+00
      3  -0.224235D+01 -0.227909D+01 -0.275301D+01  0.722846D+00 -0.824663D+00
      4   0.863219D+01 -0.117546D+02  0.989766D+01  0.484409D+01  0.179378D-01
      5   0.523598D+01 -0.367630D+01  0.577167D+01  0.215787D+01 -0.188712D+01
      6  -0.635813D+01  0.730213D+01 -0.774340D+01 -0.486496D+01  0.389829D+01
                56            57            58            59            60 
      1   0.843065D+01  0.105113D+02  0.112686D+02  0.124087D+02  0.258873D+01
      2  -0.178433D+02 -0.153120D+02 -0.163567D+02 -0.253328D+02 -0.898193D+01
      3   0.941269D+01  0.480070D+01  0.508812D+01  0.129242D+02  0.639321D+01
      4  -0.578317D+01  0.343266D+01 -0.237669D+01 -0.117278D+02 -0.965973D+01
      5  -0.131155D+01 -0.322730D+01 -0.248982D+01 -0.375758D+01  0.202968D+01
      6  -0.161292D+02  0.990800D+01 -0.112323D+02 -0.781472D+01 -0.892504D+00
                61            62            63            64            65 
      1   0.111150D+02  0.553365D+01  0.229815D+01 -0.246360D+02 -0.224833D+02
      2  -0.151002D+02 -0.138223D+02 -0.280755D+01  0.199904D+02  0.123407D+02
      3   0.398517D+01  0.828863D+01  0.509402D+00  0.464564D+01  0.101426D+02
      4   0.545939D+01 -0.130017D+02  0.570174D+01 -0.225638D+02  0.352652D+01
      5  -0.363364D+01  0.171726D+01 -0.381828D+01 -0.739861D+01 -0.109022D+02
      6   0.981996D+01 -0.582592D+01  0.495713D+01 -0.310904D+01  0.410938D+01
                66            67            68            69            70 
      1  -0.919694D+01 -0.306247D+02  0.462285D+01 -0.157795D+02 -0.815730D+01
      2   0.755704D+01  0.173940D+02 -0.552314D+01  0.118345D+02  0.600065D+01
      3   0.163990D+01  0.132308D+02  0.900295D+00  0.394502D+01  0.215665D+01
      4  -0.821968D+01 -0.192315D+01  0.105656D+02 -0.518373D+01 -0.104755D+02
      5  -0.769433D+01 -0.140168D+02 -0.806107D+01  0.212013D+02 -0.137495D+02
      6   0.145263D+01  0.187246D+01  0.747149D+01 -0.150832D+02  0.833029D+01
                71            72            73            74            75 
      1  -0.156106D+02  0.304194D-01  0.175146D+01  0.208154D+01 -0.349547D+01
      2   0.118905D+02 -0.664495D+01 -0.372239D+01 -0.195782D+01  0.914356D+00
      3   0.372005D+01  0.661453D+01  0.197093D+01 -0.123723D+00  0.258111D+01
      4  -0.414401D+01  0.227180D+02  0.249605D+01  0.161053D+01 -0.106784D+01
      5   0.227191D+02  0.114269D+02 -0.344665D+01 -0.465429D+00  0.488328D+01
      6  -0.167407D+02 -0.316474D+01 -0.127316D+01  0.215720D+00 -0.827018D+00
                76            77            78            79            80 
      1   0.798597D+00 -0.176789D+01 -0.186561D+01 -0.171190D+01  0.406115D+00
      2   0.550853D+00 -0.148396D+01 -0.606858D+01  0.531645D+01 -0.413077D+01
      3  -0.134945D+01  0.325185D+01  0.793419D+01 -0.360456D+01  0.372466D+01
      4   0.245531D+01 -0.214555D+01 -0.201989D+01 -0.190169D+01 -0.248145D+01
      5   0.165213D+01 -0.195237D+01 -0.585438D+01  0.891564D+01 -0.147968D+01
      6  -0.809262D+00  0.170844D+01  0.381474D+01  0.123572D+01  0.470277D+01
                81            82            83            84            85 
      1  -0.162486D+02  0.420825D+02  0.118188D+02 -0.361476D+01  0.931726D+01
      2  -0.231150D+02 -0.169719D+02 -0.156250D+01  0.312085D+01  0.249459D+00
      3   0.393637D+02 -0.251106D+02 -0.102563D+02  0.493909D+00 -0.956672D+01
      4   0.155105D+00  0.348038D+02  0.210367D+02 -0.580600D+01  0.187359D+02
      5  -0.219048D+02 -0.170658D+02 -0.828031D+01  0.903548D+01 -0.546765D+01
      6  -0.918445D+01 -0.855172D+01 -0.645997D+01  0.475134D+01 -0.426522D+01
                86            87            88            89            90 
      1   0.486719D+01 -0.140699D+01  0.406499D+01  0.150552D+00  0.248938D+01
      2   0.387678D+01  0.202929D+00  0.559662D-01  0.880962D+00 -0.400643D+01
      3  -0.874397D+01  0.120406D+01 -0.412095D+01 -0.103151D+01  0.151706D+01
      4   0.147385D+02 -0.244560D+01  0.161471D+01  0.253484D+01  0.350995D+01
      5  -0.304652D+01  0.237750D+01  0.650832D+01  0.176203D+01 -0.330821D+01
      6  -0.396229D+01  0.280143D+01  0.301863D+01  0.155251D+01 -0.104768D+01
                91            92            93            94            95 
      1  -0.184983D+02  0.831064D+01  0.177111D+02  0.156473D+02 -0.119050D+02
      2   0.125126D+02 -0.152032D+02 -0.628088D+01 -0.247075D+02 -0.454854D+01
      3   0.598573D+01  0.689257D+01 -0.114302D+02  0.906027D+01  0.164535D+02
      4   0.897986D+01 -0.974437D+01 -0.122979D+02 -0.128215D+02 -0.173026D+02
      5   0.155201D+02 -0.177771D+02  0.437627D+01 -0.261895D+02 -0.158872D+01
      6  -0.714877D+01  0.162557D+00  0.131170D+02 -0.105707D+01  0.533929D+00
                96            97            98            99           100 
      1  -0.178796D+02  0.140810D+02 -0.147704D+02  0.191350D+02 -0.157029D+02
      2   0.868061D+01 -0.469190D+01  0.328852D+01 -0.479933D+01  0.115142D+01
      3   0.919898D+01 -0.938905D+01  0.114819D+02 -0.143357D+02  0.145515D+02
      4  -0.887571D+01 -0.173762D+02 -0.107067D+02  0.706209D+01  0.126069D+02
      5   0.129558D+02  0.942016D+01  0.612007D+01 -0.665799D+00 -0.430268D+00
      6   0.362047D+01  0.131678D+02  0.205707D+01  0.176963D+01 -0.328859D+00
               101           102           103           104           105 
      1   0.132350D+02 -0.404844D+01  0.155688D+02 -0.182020D+02 -0.158012D+02
      2   0.166933D+01 -0.514979D+01 -0.469584D-01  0.109098D+02  0.587104D+01
      3  -0.149043D+02  0.919822D+01 -0.155218D+02  0.729219D+01  0.993013D+01
      4  -0.203423D+02 -0.116549D+02 -0.269392D+02 -0.301580D+01 -0.880997D+01
      5  -0.923644D+01  0.125940D+02 -0.123878D+02 -0.139207D+02 -0.438620D+01
      6  -0.641982D+01 -0.623227D+01 -0.104167D+02 -0.437437D+01 -0.611804D+01
               106           107           108           109           110 
      1   0.142348D+01 -0.185879D+02  0.192244D+02 -0.152201D+00  0.321384D+01
      2  -0.707570D+01  0.776849D+01 -0.728633D+01 -0.387388D+01  0.519603D+01
      3   0.565222D+01  0.108194D+02 -0.119381D+02  0.402608D+01 -0.840987D+01
      4  -0.173845D+02 -0.394810D+01 -0.261902D+01 -0.767742D+01 -0.559646D+01
      5   0.164688D+02 -0.589961D+01  0.333953D+01 -0.415553D+01 -0.137339D+02
      6  -0.957282D+01 -0.331736D+01  0.690200D+00 -0.807883D+01 -0.113191D+02
               111           112           113           114           115 
      1   0.497495D+01  0.980448D+00  0.468011D+00 -0.973485D+01  0.547908D+01
      2  -0.538594D+01  0.572320D+01  0.260420D+01 -0.591453D+01 -0.634924D+01
      3   0.410986D+00 -0.670365D+01 -0.307221D+01  0.156494D+02  0.870161D+00
      4  -0.851159D+01 -0.829274D+01 -0.309052D+01 -0.709259D+01 -0.780166D+01
      5  -0.313665D+01 -0.139793D+02 -0.885729D+01 -0.533540D+01 -0.506219D+01
      6  -0.119684D+02 -0.991872D+01 -0.499028D+01 -0.563946D+01 -0.809391D+01
               116           117           118           119           120 
      1  -0.102143D+02 -0.349034D+01  0.355430D+01  0.272963D+01  0.180857D+01
      2  -0.529678D+01  0.543857D+01 -0.151883D+01 -0.506697D+01 -0.232638D+00
      3   0.155111D+02 -0.194823D+01 -0.203548D+01  0.233734D+01 -0.157593D+01
      4  -0.564305D+01  0.342209D+01 -0.153808D+02  0.133101D+02  0.977960D+01
      5  -0.176431D+01 -0.209674D+01 -0.119167D+02  0.778017D+01  0.110467D+02
      6  -0.334606D+01  0.631057D+01  0.105884D+02 -0.100361D+02 -0.971322D+01
               121           122           123           124           125 
      1   0.430274D+01 -0.100147D+02 -0.602073D+01  0.270428D+01 -0.639570D+01
      2  -0.626413D+01  0.140447D+02  0.467705D+01 -0.623634D+00  0.323599D+01
      3   0.196140D+01 -0.403002D+01  0.134368D+01 -0.208065D+01  0.315971D+01
      4   0.113613D+02 -0.140513D+02 -0.837126D+01  0.854688D+01 -0.862108D+01
      5   0.630918D+01 -0.754463D+01 -0.611335D+01  0.978485D+01 -0.728299D+01
      6  -0.968388D+01  0.151971D+02  0.131156D+02 -0.991944D+01  0.141888D+02
               126           127           128           129           130 
      1  -0.863939D+01 -0.227618D+01 -0.747860D+01 -0.131551D+01 -0.553575D+01
      2   0.621819D-01  0.893122D+01  0.184845D+02  0.325768D+01  0.130946D+02
      3   0.857720D+01 -0.665503D+01 -0.110059D+02 -0.194217D+01 -0.755886D+01
      4  -0.959572D+01  0.944101D+01  0.157955D+02  0.160084D+01  0.113472D+02
      5  -0.102986D+02  0.577892D+00  0.831065D+00  0.284776D+01  0.126054D+00
      6   0.163068D+02  0.110210D+01  0.293867D+01  0.178642D+01  0.239391D+01
               131           132           133           134           135 
      1  -0.333620D+02 -0.424365D+01 -0.246159D+01 -0.102261D+02 -0.571418D+01
      2   0.643568D+02  0.842170D+01  0.487555D+01  0.190407D+02  0.829404D+01
      3  -0.309948D+02 -0.417805D+01 -0.241396D+01 -0.881457D+01 -0.257986D+01
      4   0.190562D+02  0.333002D+01  0.335166D+01  0.641931D+01  0.291912D+01
      5   0.264637D+01  0.133023D+01  0.257397D+01  0.239970D+01  0.159505D+01
      6   0.763900D+01  0.844197D+01  0.186951D+01  0.118173D+02  0.616095D+01
               136           137           138           139           140 
      1  -0.346578D+00  0.612941D+01 -0.489106D+01  0.274600D+01 -0.988447D+01
      2   0.127963D+01 -0.836354D+01  0.487864D+01 -0.398827D+01  0.146608D+02
      3  -0.933055D+00  0.223413D+01  0.124135D-01  0.124227D+01 -0.477629D+01
      4  -0.108122D+02  0.838455D+01 -0.720289D+01  0.605528D+01 -0.504089D+01
      5   0.702907D+01 -0.320376D+01  0.578337D+01 -0.183165D+01  0.381621D+01
      6  -0.878303D+01  0.987108D+01 -0.105891D+02  0.668398D+01 -0.998472D+01
               141           142           143           144           145 
      1   0.564790D+01 -0.474145D+01  0.964107D+01 -0.106629D+02  0.137667D+01
      2  -0.564290D+01  0.314137D+01 -0.865134D+01  0.364932D+01 -0.234093D+00
      3  -0.499583D-02  0.160008D+01 -0.989733D+00  0.701363D+01 -0.114258D+01
      4   0.508585D+01 -0.761508D+01  0.626852D+01 -0.721623D+01 -0.657947D+00
      5  -0.237360D+01  0.707470D+01 -0.322020D+01  0.559977D+01  0.308506D+01
      6   0.996252D+01 -0.986663D+01  0.153861D+02 -0.203337D+02 -0.231259D+01
               146           147           148           149           150 
      1  -0.283518D+01  0.502352D+01 -0.251308D+01 -0.109311D+02  0.802145D+01
      2   0.190464D+01 -0.248845D+01 -0.181651D+01  0.203146D+02 -0.891136D+01
      3   0.930538D+00 -0.253507D+01  0.432959D+01 -0.938354D+01  0.889906D+00
      4   0.308095D+01 -0.177282D+01  0.118709D+02 -0.265118D+02  0.125262D+02
      5  -0.745730D+00  0.194644D+01 -0.369491D+01  0.136637D+02 -0.141015D+02
      6  -0.120745D+01  0.869955D+00  0.298837D+01 -0.163742D+02  0.141998D+02
               151           152           153           154           155 
      1   0.675266D+01  0.815296D+01 -0.725145D+01  0.649391D+02  0.122203D+02
      2  -0.291282D+01 -0.918238D+01  0.376044D+01 -0.379724D+02 -0.823811D+01
      3  -0.383984D+01  0.102942D+01  0.349101D+01 -0.269667D+02 -0.398220D+01
      4  -0.698780D+01  0.156876D+02 -0.135679D+02  0.384460D+01  0.895650D+01
      5   0.838941D+01 -0.151998D+02  0.146418D+02  0.151577D+02  0.329741D+01
      6  -0.414381D+01  0.156643D+02 -0.142126D+02 -0.860279D+00  0.435497D+00
               156           157           158           159           160 
      1   0.104683D+02  0.306443D+02  0.947189D+01  0.550401D+01  0.135233D+02
      2  -0.747277D+01 -0.181932D+02 -0.555610D+01 -0.472096D+01 -0.968396D+01
      3  -0.299553D+01 -0.124511D+02 -0.391579D+01 -0.783048D+00 -0.383931D+01
      4   0.128557D+01  0.938941D+01  0.100253D+02  0.293186D+01  0.147619D+01
      5   0.115463D+02  0.790620D+01  0.417788D+01  0.485172D+01  0.145838D+02
      6  -0.137098D+01  0.459692D+00  0.390724D+00  0.201706D+01 -0.149633D+01
               161           162           163           164           165 
      1   0.370055D+01  0.808198D+01  0.108235D+02 -0.222332D+01 -0.515747D+01
      2  -0.347919D+01 -0.592097D+01 -0.546224D+01 -0.432925D+00  0.177226D+01
      3  -0.221360D+00 -0.216101D+01 -0.536125D+01  0.265624D+01  0.338520D+01
      4   0.354396D+01 -0.909885D+00 -0.592709D+01  0.641228D+01  0.715141D+01
      5   0.451543D+00  0.638928D+01 -0.727023D+01  0.610782D+01  0.923505D+01
      6   0.322880D+01  0.873970D-02  0.424925D+01 -0.274409D+01 -0.335654D+01
               166           167           168           169           170 
      1  -0.231764D+01 -0.130655D+00  0.191569D+01 -0.126815D+02  0.360566D+01
      2  -0.220518D+01  0.630277D+01  0.166051D+01  0.581233D+01  0.144766D+01
      3   0.452282D+01 -0.617211D+01 -0.357620D+01  0.686919D+01 -0.505332D+01
      4   0.120318D+02 -0.158421D+02 -0.911698D+01  0.149118D+02 -0.147865D+02
      5   0.731754D+01 -0.810025D+01 -0.124106D+02  0.165334D+02 -0.149616D+02
      6  -0.424899D+01  0.649635D+01  0.103239D+02 -0.772785D+01  0.114131D+02
               171           172           173           174           175 
      1   0.179332D+01 -0.548634D+01  0.211287D+01 -0.114478D+02  0.362144D+00
      2  -0.327978D+01 -0.297422D+00 -0.280040D+00  0.697914D-01  0.148401D+01
      3   0.148645D+01  0.578376D+01 -0.183283D+01  0.113780D+02 -0.184615D+01
      4  -0.153769D+02 -0.304425D+01 -0.502473D+00  0.794596D+00  0.263372D+01
      5  -0.288979D+02  0.137794D+01  0.298543D+01 -0.247522D+01  0.167962D+01
      6   0.157874D+02 -0.128842D+01  0.414915D+01 -0.651268D+01  0.163321D+01
               176           177           178           179           180 
      1  -0.455068D+01  0.784189D+01 -0.100277D+02  0.771404D+01 -0.242437D+02
      2   0.229598D+01 -0.218714D+01  0.203627D+01 -0.105985D+01 -0.820037D+01
      3   0.225469D+01 -0.565475D+01  0.799147D+01 -0.665418D+01  0.324441D+02
      4   0.354319D+01 -0.206427D+01 -0.132026D+01 -0.276964D+01  0.247071D+01
      5  -0.243104D+01  0.173073D+01  0.380677D+01  0.413401D+01 -0.166873D+02
      6  -0.571030D+01  0.842570D+01 -0.282003D+01  0.888295D+01 -0.154120D+02
               181           182           183           184           185 
      1   0.117612D+02  0.634144D+01 -0.550273D+00  0.846748D+01  0.211205D+01
      2  -0.146527D+01  0.365305D+01  0.968750D+00  0.573977D+01  0.199250D+02
      3  -0.102959D+02 -0.999450D+01 -0.418476D+00 -0.142072D+02 -0.220371D+02
      4   0.127071D+02  0.160002D+02  0.231847D+01  0.226534D+02  0.348567D+02
      5  -0.295297D+01  0.125286D+00  0.271980D+01 -0.159902D+01 -0.182040D+01
      6  -0.112595D+01 -0.286290D+01 -0.102991D+00 -0.457078D+01 -0.905722D+01
               186           187           188           189           190 
      1   0.276867D+01  0.461859D+01  0.363419D+01 -0.101486D+01  0.474596D+02
      2   0.179714D+01  0.687585D-01  0.358805D+01  0.207902D+01 -0.319197D+02
      3  -0.456580D+01 -0.468735D+01 -0.722224D+01 -0.106417D+01 -0.155399D+02
      4   0.122910D+01  0.823652D+01  0.889826D+01  0.342705D+01 -0.571971D+01
      5   0.558443D+01  0.160803D+01  0.305396D+01  0.369333D+01 -0.303280D+02
      6   0.468410D+01  0.191852D-01  0.236104D+01  0.135045D+01  0.313669D+01
               191           192           193           194           195 
      1  -0.105250D+02 -0.137068D+02 -0.221939D+02  0.933037D+01  0.684598D+01
      2   0.881230D+01  0.127057D+02  0.169548D+02 -0.488547D+01 -0.785608D+01
      3   0.171267D+01  0.100113D+01  0.523908D+01 -0.444490D+01  0.101009D+01
      4   0.980480D+01  0.230263D+01  0.109608D+02 -0.812289D+01 -0.287714D+01
      5   0.712290D+01  0.175065D+02  0.175175D+02 -0.697388D+01 -0.125799D+02
      6  -0.435947D+01 -0.141693D+01 -0.442891D+01  0.504742D+01  0.238557D+01
               196           197           198           199           200 
      1  -0.856075D+01  0.288058D+01  0.451403D+01 -0.568307D+01 -0.527139D+01
      2   0.985448D+01 -0.286914D+01 -0.846323D+01  0.203592D+01  0.152874D+01
      3  -0.129373D+01 -0.114310D-01  0.394921D+01  0.364715D+01  0.374265D+01
      4   0.308604D+01 -0.113872D+01 -0.279782D+01 -0.890379D+00  0.114863D+01
      5   0.148414D+02 -0.494060D+01 -0.123371D+02 -0.234670D+01  0.654453D+00
      6  -0.236125D+01  0.225333D+01  0.647847D+00 -0.200244D+01 -0.203067D+01
               201           202           203           204           205 
      1   0.837480D+01 -0.622917D+01 -0.441668D+01  0.760016D+01  0.756581D+01
      2   0.227664D+01  0.287242D+01  0.120232D+01  0.410435D+00 -0.144985D+01
      3  -0.106514D+02  0.335675D+01  0.321436D+01 -0.801060D+01 -0.611596D+01
      4   0.177214D+01  0.399358D+01 -0.341298D+01  0.469321D+01  0.804586D+00
      5  -0.338979D+01 -0.115291D+01  0.428081D+01 -0.517030D+01  0.322056D+01
      6   0.257884D+01 -0.516624D+00 -0.508555D+01  0.777799D+01  0.261788D+01
               206           207           208           209           210 
      1   0.887514D+01 -0.208402D+02  0.428404D+02 -0.166405D+02  0.495412D+00
      2  -0.710261D+00 -0.874913D+01 -0.176924D+02  0.389367D+01 -0.155355D+01
      3  -0.816488D+01  0.295894D+02 -0.251479D+02  0.127468D+02  0.105814D+01
      4   0.453896D+01 -0.494148D+01 -0.248173D+02  0.191139D+02  0.860939D-01
      5  -0.418877D+01  0.157783D+02  0.100176D+02 -0.324672D+01  0.687000D+01
      6   0.770475D+01 -0.982972D+01 -0.531728D+01  0.507093D+01 -0.125833D+01
               211           212           213           214           215 
      1  -0.225171D+02  0.129221D+02  0.146320D+01 -0.103825D+02  0.502827D+01
      2   0.588392D+01  0.179019D+00  0.135672D+01  0.382113D+01 -0.247749D+00
      3   0.166331D+02 -0.131011D+02 -0.281992D+01  0.656140D+01 -0.478052D+01
      4   0.248740D+02 -0.211610D+02  0.168647D+01  0.634212D+01 -0.426057D+01
      5  -0.540393D+01  0.502249D+01 -0.572311D+01  0.397703D+01 -0.271095D+01
      6   0.619465D+01 -0.479046D+01  0.369891D+01 -0.527312D+00  0.181892D+01
               216           217           218           219           220 
      1   0.205581D+01  0.171744D+02  0.664685D+01  0.606674D+01  0.134213D+02
      2  -0.810357D+00 -0.974300D+01 -0.496248D+01 -0.491042D+01 -0.890892D+01
      3  -0.124545D+01 -0.743136D+01 -0.168437D+01 -0.115632D+01 -0.451243D+01
      4  -0.388317D+01  0.974918D+01  0.126652D+02  0.591654D+01  0.181022D+02
      5  -0.260803D+01  0.124724D+02  0.820668D+01  0.844872D+01  0.154322D+02
      6   0.318509D-02  0.492650D+01  0.537266D+01  0.405185D+01  0.863495D+01
               221           222           223           224           225 
      1   0.753979D+01  0.441121D+01  0.390980D+01  0.263411D+01 -0.126743D+00
      2  -0.266059D+01 -0.633075D+01 -0.502297D+01 -0.388439D+01 -0.525666D+01
      3  -0.487920D+01  0.191954D+01  0.111317D+01  0.125028D+01  0.538341D+01
      4   0.213417D+02  0.949178D+01  0.641564D+01  0.613143D+01  0.691826D+01
      5   0.120380D+02  0.144417D+02  0.937680D+01  0.840853D+01  0.111110D+02
      6   0.126180D+02  0.846005D+01  0.508090D+01  0.655266D+01  0.532981D+01
               226           227           228           229           230 
      1  -0.730332D+00 -0.455672D+00  0.197235D+01 -0.102654D+01 -0.465154D+01
      2  -0.231057D+01 -0.151435D+01  0.215479D+01 -0.175878D+00 -0.341498D+01
      3   0.304090D+01  0.197002D+01 -0.412713D+01  0.120242D+01  0.806652D+01
      4   0.519632D+00  0.202643D+01  0.312951D+00  0.277040D+01 -0.243229D+01
      5  -0.137933D+01 -0.112624D+01  0.497618D+01 -0.241449D+01  0.273693D+01
      6  -0.126019D+01  0.218358D-01  0.809387D+00  0.234832D+00 -0.825182D+01
               231           232           233           234           235 
      1   0.847290D+01  0.836223D+00  0.593168D+01 -0.164549D+02  0.809203D+01
      2   0.777752D+01  0.754303D+00  0.567899D+01 -0.176355D+02 -0.599008D+01
      3  -0.162504D+02 -0.159053D+01 -0.116107D+02  0.340904D+02 -0.210195D+01
      4   0.309801D+01  0.756045D-01  0.174201D+01 -0.210509D+01  0.143221D+02
      5  -0.390319D+01  0.591190D+01 -0.108050D+01  0.626747D+01  0.183309D+02
      6   0.100910D+02  0.175034D+01  0.817600D+01 -0.719790D+01  0.109471D+02
               236           237           238           239           240 
      1   0.798436D+00 -0.134403D+00 -0.242740D-01 -0.519564D+01 -0.349215D+01
      2  -0.117712D+01 -0.500812D+01  0.761759D-01  0.557986D+01  0.160364D+00
      3   0.378684D+00  0.514253D+01 -0.519020D-01 -0.384217D+00  0.333178D+01
      4   0.120701D+02  0.883756D+01  0.125486D+02  0.136937D+02  0.877496D+01
      5   0.115500D+02  0.153606D+02  0.119263D+02  0.107440D+02  0.102027D+02
      6   0.977822D+01  0.101182D+02  0.108029D+02  0.149623D+02  0.129106D+02
               241           242           243 
      1  -0.190466D+01 -0.259159D+01 -0.463866D+01
      2  -0.304004D+01 -0.281978D+00 -0.511222D+01
      3   0.494470D+01  0.287357D+01  0.975088D+01
      4   0.592036D+01  0.514597D+01  0.630105D+01
      5   0.104806D+02  0.721640D+01  0.119174D+02
      6   0.777240D+01  0.910247D+01  0.989561D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:58:51 2021, MaxMem=  5637144576 cpu:           21324.2 elap:            2691.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13432 -10.26616 -10.20320 -10.20207 -10.19646
 Alpha  occ. eigenvalues --  -10.19427 -10.19062 -10.18866 -10.18327 -10.18069
 Alpha  occ. eigenvalues --  -10.17739  -1.03745  -0.88582  -0.79592  -0.74804
 Alpha  occ. eigenvalues --   -0.71870  -0.68515  -0.66953  -0.64302  -0.57976
 Alpha  occ. eigenvalues --   -0.55670  -0.50857  -0.48890  -0.48469  -0.46277
 Alpha  occ. eigenvalues --   -0.44911  -0.43790  -0.42363  -0.41159  -0.40536
 Alpha  occ. eigenvalues --   -0.39410  -0.38893  -0.38090  -0.37043  -0.36300
 Alpha  occ. eigenvalues --   -0.35827  -0.35746  -0.34342  -0.33096  -0.31878
 Alpha  occ. eigenvalues --   -0.31427  -0.24146
 Alpha virt. eigenvalues --   -0.02251   0.01003   0.02796   0.03210   0.03970
 Alpha virt. eigenvalues --    0.05639   0.06380   0.06923   0.07067   0.07391
 Alpha virt. eigenvalues --    0.08652   0.09382   0.10485   0.10589   0.11028
 Alpha virt. eigenvalues --    0.11433   0.11943   0.12507   0.13690   0.14253
 Alpha virt. eigenvalues --    0.14853   0.15552   0.15793   0.16176   0.16238
 Alpha virt. eigenvalues --    0.17299   0.18307   0.18735   0.19328   0.20190
 Alpha virt. eigenvalues --    0.20212   0.20921   0.21568   0.22243   0.23302
 Alpha virt. eigenvalues --    0.23775   0.24567   0.25494   0.26057   0.26755
 Alpha virt. eigenvalues --    0.27595   0.28266   0.29307   0.29589   0.30093
 Alpha virt. eigenvalues --    0.30269   0.30750   0.31159   0.32172   0.32309
 Alpha virt. eigenvalues --    0.32475   0.32687   0.33308   0.33758   0.34233
 Alpha virt. eigenvalues --    0.34456   0.34598   0.35098   0.35447   0.35696
 Alpha virt. eigenvalues --    0.36023   0.36806   0.36923   0.37597   0.37807
 Alpha virt. eigenvalues --    0.37963   0.38324   0.38857   0.39575   0.40272
 Alpha virt. eigenvalues --    0.40513   0.41134   0.41348   0.41794   0.42087
 Alpha virt. eigenvalues --    0.42985   0.43565   0.44212   0.44359   0.44668
 Alpha virt. eigenvalues --    0.45449   0.46210   0.46741   0.47350   0.47766
 Alpha virt. eigenvalues --    0.48231   0.48784   0.49089   0.49501   0.50111
 Alpha virt. eigenvalues --    0.50569   0.50792   0.51758   0.52190   0.52415
 Alpha virt. eigenvalues --    0.53112   0.53497   0.54484   0.54721   0.55085
 Alpha virt. eigenvalues --    0.55497   0.55989   0.56339   0.57459   0.58438
 Alpha virt. eigenvalues --    0.59089   0.59138   0.59815   0.60194   0.60554
 Alpha virt. eigenvalues --    0.61136   0.61738   0.62458   0.62723   0.63316
 Alpha virt. eigenvalues --    0.63674   0.64733   0.66053   0.66229   0.67308
 Alpha virt. eigenvalues --    0.67682   0.68298   0.69314   0.69956   0.70290
 Alpha virt. eigenvalues --    0.70734   0.72059   0.72583   0.73413   0.74742
 Alpha virt. eigenvalues --    0.75252   0.76230   0.77951   0.79310   0.79664
 Alpha virt. eigenvalues --    0.80191   0.81362   0.81896   0.82831   0.83235
 Alpha virt. eigenvalues --    0.83975   0.84366   0.86925   0.89411   0.89834
 Alpha virt. eigenvalues --    0.90594   0.91627   0.92693   0.93640   0.94086
 Alpha virt. eigenvalues --    0.96397   0.97195   0.98289   0.99280   1.00250
 Alpha virt. eigenvalues --    1.00838   1.01275   1.01965   1.02363   1.02762
 Alpha virt. eigenvalues --    1.03477   1.04249   1.05570   1.07109   1.08059
 Alpha virt. eigenvalues --    1.08924   1.09742   1.10909   1.13446   1.14237
 Alpha virt. eigenvalues --    1.15298   1.18205   1.18875   1.20958   1.21873
 Alpha virt. eigenvalues --    1.23198   1.24621   1.25731   1.28460   1.30638
 Alpha virt. eigenvalues --    1.30814   1.32106   1.35001   1.35883   1.36551
 Alpha virt. eigenvalues --    1.38142   1.39083   1.41442   1.42994   1.44292
 Alpha virt. eigenvalues --    1.46612   1.47010   1.48352   1.50083   1.52420
 Alpha virt. eigenvalues --    1.55615   1.56221   1.57587   1.60015   1.60715
 Alpha virt. eigenvalues --    1.63734   1.65441   1.66348   1.68409   1.69440
 Alpha virt. eigenvalues --    1.70214   1.72717   1.73604   1.75229   1.76083
 Alpha virt. eigenvalues --    1.77787   1.79441   1.80951   1.81932   1.82583
 Alpha virt. eigenvalues --    1.83009   1.84461   1.86514   1.87416   1.88429
 Alpha virt. eigenvalues --    1.90458   1.90805   1.91392   1.92201   1.92507
 Alpha virt. eigenvalues --    1.93917   1.95129   1.96862   1.98179   1.99397
 Alpha virt. eigenvalues --    2.01071   2.02772   2.03259   2.03998   2.05474
 Alpha virt. eigenvalues --    2.06039   2.08516   2.09405   2.12037   2.12184
 Alpha virt. eigenvalues --    2.12653   2.15012   2.15831   2.17465   2.19223
 Alpha virt. eigenvalues --    2.19485   2.21265   2.22233   2.24811   2.25701
 Alpha virt. eigenvalues --    2.26102   2.27118   2.28899   2.29839   2.31638
 Alpha virt. eigenvalues --    2.33469   2.35231   2.36340   2.38370   2.39963
 Alpha virt. eigenvalues --    2.40463   2.42963   2.44601   2.46866   2.49367
 Alpha virt. eigenvalues --    2.51340   2.51973   2.55169   2.55806   2.58064
 Alpha virt. eigenvalues --    2.60267   2.60583   2.62385   2.65035   2.66329
 Alpha virt. eigenvalues --    2.67716   2.69500   2.69525   2.71191   2.74734
 Alpha virt. eigenvalues --    2.75648   2.78335   2.79621   2.83817   2.84474
 Alpha virt. eigenvalues --    2.86053   2.94289   2.96480   2.97190   3.00205
 Alpha virt. eigenvalues --    3.03130   3.04212   3.04685   3.07773   3.08245
 Alpha virt. eigenvalues --    3.10934   3.12298   3.13593   3.15399   3.16106
 Alpha virt. eigenvalues --    3.17390   3.18833   3.23019   3.23852   3.26691
 Alpha virt. eigenvalues --    3.28828   3.31400   3.49174   3.92974
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   11.878614  -0.306987  -0.713759  -0.023734  -0.438013   0.480505
     2  C   -0.306987   5.158222   0.203875  -0.016529  -0.195500   0.080169
     3  C   -0.713759   0.203875   7.178390  -0.525422  -1.397934  -0.024692
     4  O   -0.023734  -0.016529  -0.525422   8.894450   0.257809   0.005934
     5  C   -0.438013  -0.195500  -1.397934   0.257809  16.456601  -1.472124
     6  C    0.480505   0.080169  -0.024692   0.005934  -1.472124   6.677909
     7  C    0.458597  -0.059846  -0.256659   0.011003   0.019552   0.285826
     8  C   -1.487676   0.051496   0.075957   0.006255   0.017798  -0.053092
     9  H    0.204439   0.053801  -0.095970   0.032309  -0.199962   0.107338
    10  H   -0.094363  -0.072283   0.031287   0.003386   0.052584  -0.086442
    11  C    0.044127  -0.001381   0.074332  -0.046103  -1.096217   0.067636
    12  C   -0.143211   0.030666   0.313357  -0.094410  -2.125933   0.096639
    13  C   -0.813718  -0.125926   0.067609   0.006971  -0.034256  -0.228368
    14  H   -0.258973   0.030185   0.113561  -0.005227  -0.238195  -0.124719
    15  H    0.013222  -0.018521   0.032881  -0.004199  -0.009453   0.110531
    16  H   -0.133978   0.085315  -0.021498   0.000009   0.061937  -0.171997
    17  H    0.276318   0.002077  -0.013395   0.011258   0.004506   0.002795
    18  H    0.221030  -0.013667  -0.006083   0.007761  -0.005804   0.000478
    19  H    0.365551  -0.017872  -0.015065  -0.014176   0.009735  -0.003943
    20  H   -0.005996  -0.002054  -0.136992   0.041959   0.379520  -0.101865
    21  H   -0.021186   0.000537   0.078469  -0.023045   0.097419   0.046491
    22  H   -0.000645   0.000298   0.014297  -0.001436   0.104220   0.034510
    23  H   -0.054233  -0.010323   0.032788   0.008890  -0.026221  -0.066868
    24  H    0.017179   0.007771   0.002745   0.004653   0.063186   0.050480
    25  H    0.021256  -0.002239  -0.013546  -0.012732   0.382135   0.004149
    26  H   -0.071332   0.067434   0.125313  -0.050596  -0.135889  -0.063148
    27  H    0.246001  -0.085282  -0.016541   0.008889   0.232035  -0.132974
               7          8          9         10         11         12
     1  C    0.458597  -1.487676   0.204439  -0.094363   0.044127  -0.143211
     2  C   -0.059846   0.051496   0.053801  -0.072283  -0.001381   0.030666
     3  C   -0.256659   0.075957  -0.095970   0.031287   0.074332   0.313357
     4  O    0.011003   0.006255   0.032309   0.003386  -0.046103  -0.094410
     5  C    0.019552   0.017798  -0.199962   0.052584  -1.096217  -2.125933
     6  C    0.285826  -0.053092   0.107338  -0.086442   0.067636   0.096639
     7  C    5.129460  -0.049342  -0.050630  -0.124720   0.031584  -0.142719
     8  C   -0.049342   5.383478  -0.022266   0.057912   0.003496  -0.003589
     9  H   -0.050630  -0.022266   1.770192  -0.569021   0.005059   0.028938
    10  H   -0.124720   0.057912  -0.569021   2.041456  -0.002948  -0.006388
    11  C    0.031584   0.003496   0.005059  -0.002948   5.148853  -0.090354
    12  C   -0.142719  -0.003589   0.028938  -0.006388  -0.090354   5.851938
    13  C   -0.212959   0.116055   0.000205   0.118145  -0.123456   0.089391
    14  H   -0.360786   0.005982   0.004244   0.007751  -0.051857   0.142628
    15  H    0.189808  -0.014710   0.135282  -0.358937   0.002135   0.006855
    16  H    0.024200   0.007058  -0.301219   0.219327  -0.008360  -0.048014
    17  H   -0.002869  -0.002614  -0.002782   0.008437  -0.001280   0.000157
    18  H    0.001683   0.048002  -0.011601   0.020437   0.000105  -0.000062
    19  H    0.001059   0.026793   0.004204  -0.024497   0.000165  -0.000645
    20  H   -0.004062  -0.005901   0.000531  -0.000103   0.202334  -0.013341
    21  H   -0.002072   0.002530   0.000187  -0.000012  -0.182848   0.090426
    22  H    0.001520   0.000170   0.000350  -0.000001  -0.044669   0.016362
    23  H   -0.014712   0.000032   0.021485   0.003336   0.000337   0.266988
    24  H   -0.027183  -0.000473   0.001742  -0.000731   0.023290  -0.014484
    25  H    0.009426  -0.000327  -0.001565   0.000131   0.025049  -0.183835
    26  H    0.076942   0.001725  -0.005020  -0.010315  -0.064979   0.005159
    27  H   -0.092392   0.018801  -0.004428   0.021193  -0.008765  -0.008150
              13         14         15         16         17         18
     1  C   -0.813718  -0.258973   0.013222  -0.133978   0.276318   0.221030
     2  C   -0.125926   0.030185  -0.018521   0.085315   0.002077  -0.013667
     3  C    0.067609   0.113561   0.032881  -0.021498  -0.013395  -0.006083
     4  O    0.006971  -0.005227  -0.004199   0.000009   0.011258   0.007761
     5  C   -0.034256  -0.238195  -0.009453   0.061937   0.004506  -0.005804
     6  C   -0.228368  -0.124719   0.110531  -0.171997   0.002795   0.000478
     7  C   -0.212959  -0.360786   0.189808   0.024200  -0.002869   0.001683
     8  C    0.116055   0.005982  -0.014710   0.007058  -0.002614   0.048002
     9  H    0.000205   0.004244   0.135282  -0.301219  -0.002782  -0.011601
    10  H    0.118145   0.007751  -0.358937   0.219327   0.008437   0.020437
    11  C   -0.123456  -0.051857   0.002135  -0.008360  -0.001280   0.000105
    12  C    0.089391   0.142628   0.006855  -0.048014   0.000157  -0.000062
    13  C    5.632172   0.139556  -0.090797   0.123511  -0.003276   0.005028
    14  H    0.139556   2.451463  -0.053538   0.006755   0.000567   0.000565
    15  H   -0.090797  -0.053538   1.873747  -0.649846  -0.000435  -0.001486
    16  H    0.123511   0.006755  -0.649846   2.182813   0.000343   0.000353
    17  H   -0.003276   0.000567  -0.000435   0.000343   0.779325  -0.073180
    18  H    0.005028   0.000565  -0.001486   0.000353  -0.073180   0.807750
    19  H   -0.008054  -0.000033   0.000384   0.000167  -0.012729  -0.046452
    20  H    0.020681  -0.015047   0.000389  -0.000333   0.000217  -0.000207
    21  H    0.017682   0.014264   0.000120  -0.000142   0.000247  -0.000011
    22  H   -0.002403  -0.017990   0.000158  -0.002102   0.000004  -0.000019
    23  H    0.012464   0.012042  -0.000352   0.019679   0.000032   0.000001
    24  H   -0.010989   0.029677   0.001009  -0.009322  -0.000043   0.000002
    25  H   -0.005616  -0.001183  -0.000535   0.002699   0.000007   0.000006
    26  H   -0.152282  -0.041047   0.004934  -0.004431   0.008254  -0.004840
    27  H    0.052513  -0.035464   0.012318   0.018126  -0.013011  -0.002182
              19         20         21         22         23         24
     1  C    0.365551  -0.005996  -0.021186  -0.000645  -0.054233   0.017179
     2  C   -0.017872  -0.002054   0.000537   0.000298  -0.010323   0.007771
     3  C   -0.015065  -0.136992   0.078469   0.014297   0.032788   0.002745
     4  O   -0.014176   0.041959  -0.023045  -0.001436   0.008890   0.004653
     5  C    0.009735   0.379520   0.097419   0.104220  -0.026221   0.063186
     6  C   -0.003943  -0.101865   0.046491   0.034510  -0.066868   0.050480
     7  C    0.001059  -0.004062  -0.002072   0.001520  -0.014712  -0.027183
     8  C    0.026793  -0.005901   0.002530   0.000170   0.000032  -0.000473
     9  H    0.004204   0.000531   0.000187   0.000350   0.021485   0.001742
    10  H   -0.024497  -0.000103  -0.000012  -0.000001   0.003336  -0.000731
    11  C    0.000165   0.202334  -0.182848  -0.044669   0.000337   0.023290
    12  C   -0.000645  -0.013341   0.090426   0.016362   0.266988  -0.014484
    13  C   -0.008054   0.020681   0.017682  -0.002403   0.012464  -0.010989
    14  H   -0.000033  -0.015047   0.014264  -0.017990   0.012042   0.029677
    15  H    0.000384   0.000389   0.000120   0.000158  -0.000352   0.001009
    16  H    0.000167  -0.000333  -0.000142  -0.002102   0.019679  -0.009322
    17  H   -0.012729   0.000217   0.000247   0.000004   0.000032  -0.000043
    18  H   -0.046452  -0.000207  -0.000011  -0.000019   0.000001   0.000002
    19  H    0.692736  -0.000107   0.000072  -0.000015  -0.000210  -0.000016
    20  H   -0.000107   1.358207  -0.203696  -0.187235  -0.006553   0.008984
    21  H    0.000072  -0.203696   0.933781  -0.026845   0.009917  -0.021829
    22  H   -0.000015  -0.187235  -0.026845   0.903831   0.004720   0.018835
    23  H   -0.000210  -0.006553   0.009917   0.004720   1.202394  -0.170443
    24  H   -0.000016   0.008984  -0.021829   0.018835  -0.170443   1.089759
    25  H   -0.000144  -0.005122   0.025610  -0.030897  -0.106251  -0.112581
    26  H    0.002316  -0.042324   0.009393   0.020198   0.001530  -0.002321
    27  H    0.000161   0.007379  -0.001605  -0.002495  -0.000085   0.000473
              25         26         27
     1  C    0.021256  -0.071332   0.246001
     2  C   -0.002239   0.067434  -0.085282
     3  C   -0.013546   0.125313  -0.016541
     4  O   -0.012732  -0.050596   0.008889
     5  C    0.382135  -0.135889   0.232035
     6  C    0.004149  -0.063148  -0.132974
     7  C    0.009426   0.076942  -0.092392
     8  C   -0.000327   0.001725   0.018801
     9  H   -0.001565  -0.005020  -0.004428
    10  H    0.000131  -0.010315   0.021193
    11  C    0.025049  -0.064979  -0.008765
    12  C   -0.183835   0.005159  -0.008150
    13  C   -0.005616  -0.152282   0.052513
    14  H   -0.001183  -0.041047  -0.035464
    15  H   -0.000535   0.004934   0.012318
    16  H    0.002699  -0.004431   0.018126
    17  H    0.000007   0.008254  -0.013011
    18  H    0.000006  -0.004840  -0.002182
    19  H   -0.000144   0.002316   0.000161
    20  H   -0.005122  -0.042324   0.007379
    21  H    0.025610   0.009393  -0.001605
    22  H   -0.030897   0.020198  -0.002495
    23  H   -0.106251   0.001530  -0.000085
    24  H   -0.112581  -0.002321   0.000473
    25  H    0.885628  -0.000722  -0.000027
    26  H   -0.000722   2.263181  -0.623397
    27  H   -0.000027  -0.623397   1.676012
 Mulliken charges:
               1
     1  C   -3.659037
     2  C    1.156562
     3  C    0.892695
     4  O   -0.483930
     5  C   -4.763538
     6  C    0.478841
     7  C    1.160288
     8  C    1.816450
     9  H   -0.105845
    10  H   -0.234621
    11  C    2.094717
    12  C    1.935630
    13  C    1.410116
    14  H   -0.755182
    15  H   -0.180964
    16  H   -0.401050
    17  H    0.031070
    18  H    0.052391
    19  H    0.040616
    20  H   -0.289262
    21  H    0.156145
    22  H    0.197277
    23  H   -0.140385
    24  H    0.050628
    25  H    0.121228
    26  H   -0.313737
    27  H   -0.267104
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -3.659037
     2  C    0.816096
     3  C    0.892695
     4  O   -0.483930
     5  C   -4.763538
     6  C   -0.276341
     7  C    0.578275
     8  C    1.940528
    11  C    2.158877
    12  C    1.967102
    13  C    0.829274
 Electronic spatial extent (au):  <R**2>=           1535.6291
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.1294    Y=              2.7506    Z=              1.3517  Tot=              3.0675
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -67.2044   YY=            -75.4521   ZZ=            -69.6416
   XY=              0.1969   XZ=             -0.1687   YZ=             -3.4833
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.5617   YY=             -4.6860   ZZ=              1.1244
   XY=              0.1969   XZ=             -0.1687   YZ=             -3.4833
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.8279  YYY=             10.0524  ZZZ=             -2.6901  XYY=              0.8197
  XXY=             -0.6070  XXZ=             -0.7166  XZZ=              0.5498  YZZ=              0.7186
  YYZ=              8.5336  XYZ=              0.3327
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1038.1429 YYYY=           -686.6871 ZZZZ=           -433.8859 XXXY=              5.5449
 XXXZ=             -1.1251 YYYX=              3.1358 YYYZ=             -8.5244 ZZZX=             -0.7219
 ZZZY=              0.2258 XXYY=           -276.0240 XXZZ=           -249.1793 YYZZ=           -187.0292
 XXYZ=              7.5191 YYXZ=              1.5813 ZZXY=             -2.3248
 N-N= 6.829452507973D+02 E-N=-2.444106793069D+03  KE= 4.602511101330D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:58:52 2021, MaxMem=  5637144576 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.82447321D-02 1.04099750D+00 5.10077616D-01
 Polarizability= 1.21387498D+02 3.37562485D-01 1.11184692D+02
                -3.60707790D-01 3.24921191D-01 1.02705121D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.2645    0.2615        0.1510    0.1521
 2     -0.2645   -0.2615       -0.3562   -0.3563       -5.0664   -5.0693
 3     -0.1510   -0.1521        9.7147    9.7165        0.3579    0.3563
 4      0.3562    0.3563       -0.0000    0.0000       -0.1518   -0.1521
 5     -4.6483   -4.6472        0.1518    0.1521        0.2623    0.2615
 6     -0.3579   -0.3563       -0.2623   -0.2615        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.7845   -0.7845        0.4564    0.4564
 2      1.0688    1.0688        0.0000    0.0000        0.4564    0.4564
 3      1.0688    1.0688       -0.7845   -0.7845       -0.0000    0.0000
 4     -0.7845   -0.7845       -1.0688   -1.0688      -15.2079  -15.2079
 5     -0.4564   -0.4564       29.1495   29.1495        1.0688    1.0688
 6    -13.9416  -13.9416        0.4564    0.4564        0.7845    0.7845
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0612    0.0000       -1.0985   -1.0460       -0.7161   -0.6085
 2      1.0671    1.0460        1.3800    1.4250       20.2122   20.2772
 3      0.6590    0.6085      -38.9520  -38.8660       -1.4559   -1.4250
 4     -1.3784   -1.4250       -0.0438    0.0000        0.5520    0.6085
 5     18.5620   18.5889       -0.6042   -0.6085       -1.0512   -1.0460
 6      1.4607    1.4250        1.0410    1.0460       -0.0220    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1451    0.0000        3.6238    3.7137       -0.2076   -0.2454
 2     -3.7564   -3.7137       -8.1149   -8.0866        3.5340    3.4963
 3      0.2525    0.2454       -7.6677   -7.6271        8.0326    8.0866
 4      8.0792    8.0866        0.0725    0.0000        0.2886    0.2454
 5      4.0855    4.1307       -0.2178   -0.2454        3.7370    3.7137
 6     -7.9980   -8.0866       -3.6538   -3.7137       -0.0881    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     15.9816   15.9734        6.7260    6.7376       23.2848   23.2607
 2     24.0953   24.1796        8.4131    8.4386       23.3667   23.2607
 3     24.2011   24.1796        6.7236    6.7376       25.3447   25.2825
 4     -1.7359   -1.7010       -8.2159   -8.2061       -3.5477   -3.6277
 5      2.0512    2.0219        1.3942    1.4340        8.2864    8.2061
 6      2.1795    2.1937       -2.0745   -2.0219        1.6648    1.7010
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.4005   -0.0007   -0.0006   -0.0003    3.7544   15.3380
 Low frequencies ---   85.8825  183.8728  192.4763
 Diagonal vibrational polarizability:
        6.0533555       4.7483213       9.1681537
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.8818               183.8699               192.4735
 Red. masses --      3.9284                 1.5182                 1.1173
 Frc consts  --      0.0171                 0.0302                 0.0244
 IR Inten    --      2.3323                 1.0316                 0.0375
 RamAct Fr= 1--      0.1969                 0.4201                 0.0886
  Dep-P Fr= 1--      0.7389                 0.7355                 0.6688
  Dep-U Fr= 1--      0.8499                 0.8476                 0.8016
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0279                 0.0593                 0.0118
 AlphaG Fr= 1--     -0.0011                 0.0005                 0.0023
 Gamma2 Fr= 1--      0.1328                 0.1787                -0.0934
 Delta2 Fr= 1--      0.0270                 0.1328                -0.0856
 Raman1 Fr= 1--       0.788                  1.680                  0.354
 ROA1   Fr= 1--      13.616                 21.399                -11.703
 CID1   Fr= 1--      17.286                 12.736                -33.028
 Raman2 Fr= 1--       0.335                  0.712                  0.142
 ROA2   Fr= 1--       2.972                  3.226                 -1.556
 CID2   Fr= 1--       8.879                  4.530                -10.958
 Raman3 Fr= 1--       0.669                  1.424                  0.284
 ROA3   Fr= 1--      13.616                 21.399                -11.703
 CID3   Fr= 1--      20.340                 15.026                -41.204
 RC180  Fr= 1--       0.700                  0.695                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.06    -0.00   0.01  -0.02     0.00   0.00  -0.01
     2   6    -0.09   0.05  -0.03     0.05   0.03   0.02     0.04   0.02   0.03
     3   6     0.00  -0.05   0.06    -0.01   0.01  -0.02    -0.00   0.00  -0.00
     4   8    -0.02  -0.15   0.25    -0.01  -0.06   0.11     0.00   0.01  -0.02
     5   6     0.01   0.00  -0.01    -0.01   0.02  -0.04    -0.00  -0.01   0.02
     6   6     0.01  -0.03   0.06    -0.00   0.02  -0.03     0.00  -0.01  -0.00
     7   6    -0.02   0.05   0.11     0.03   0.02  -0.01    -0.02  -0.01  -0.02
     8   6     0.05   0.07  -0.18    -0.02  -0.01  -0.00    -0.00  -0.01  -0.03
     9   1    -0.21   0.08  -0.03     0.10   0.07   0.00     0.13   0.05   0.02
    10   1    -0.07   0.03  -0.14     0.05   0.03   0.08     0.02   0.05   0.13
    11   6    -0.13   0.04  -0.09     0.06  -0.05  -0.03    -0.02   0.03   0.03
    12   6     0.14   0.05  -0.10    -0.07   0.03   0.02     0.00  -0.03   0.00
    13   6     0.03  -0.06  -0.00    -0.02  -0.00  -0.02    -0.00  -0.01  -0.00
    14   1     0.02  -0.09   0.12    -0.01   0.02  -0.03     0.00  -0.00  -0.00
    15   1     0.04  -0.01   0.18     0.01   0.02   0.01    -0.08   0.03  -0.06
    16   1    -0.05   0.16   0.18     0.06   0.03  -0.03    -0.03  -0.09  -0.05
    17   1     0.13   0.02  -0.22    -0.18  -0.22  -0.26    -0.15  -0.27  -0.34
    18   1     0.04   0.09  -0.19    -0.09  -0.09   0.35    -0.08  -0.09   0.37
    19   1     0.03   0.14  -0.22     0.20   0.26  -0.09     0.23   0.33  -0.15
    20   1    -0.24   0.10  -0.01     0.17  -0.29  -0.16    -0.10   0.27   0.14
    21   1    -0.06   0.02  -0.09    -0.11   0.06  -0.14     0.16  -0.08   0.15
    22   1    -0.17   0.05  -0.24     0.18   0.01   0.21    -0.14  -0.04  -0.17
    23   1     0.26  -0.03  -0.07    -0.18   0.30   0.08     0.05  -0.26  -0.08
    24   1     0.19   0.14  -0.20    -0.22  -0.20   0.14     0.14   0.16  -0.07
    25   1     0.08   0.09  -0.11     0.13  -0.02  -0.14    -0.18   0.00   0.16
    26   1     0.05  -0.13  -0.05    -0.03   0.00  -0.02    -0.01  -0.01  -0.00
    27   1     0.03  -0.09   0.03    -0.01  -0.01  -0.01     0.00  -0.01   0.00
                      4                      5                      6
                      A                      A                      A
 Frequencies --    201.9105               211.2997               230.9026
 Red. masses --      1.7345                 1.7310                 1.2160
 Frc consts  --      0.0417                 0.0455                 0.0382
 IR Inten    --      0.6718                 0.6538                 0.8343
 RamAct Fr= 1--      0.7217                 0.2933                 0.2045
  Dep-P Fr= 1--      0.7475                 0.7498                 0.6568
  Dep-U Fr= 1--      0.8555                 0.8570                 0.7928
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.1029                 0.0419                 0.0270
 AlphaG Fr= 1--     -0.0003                -0.0001                 0.0008
 Gamma2 Fr= 1--     -0.0758                 0.1725                -0.0135
 Delta2 Fr= 1--     -0.1053                 0.0208                -0.0810
 Raman1 Fr= 1--       2.887                  1.173                  0.818
 ROA1   Fr= 1--     -10.644                 17.227                 -3.884
 CID1   Fr= 1--      -3.687                 14.682                 -4.749
 Raman2 Fr= 1--       1.235                  0.503                  0.324
 ROA2   Fr= 1--      -0.977                  3.974                  0.324
 CID2   Fr= 1--      -0.791                  7.905                  1.000
 Raman3 Fr= 1--       2.470                  1.006                  0.648
 ROA3   Fr= 1--     -10.644                 17.227                 -3.884
 CID3   Fr= 1--      -4.310                 17.132                 -5.989
 RC180  Fr= 1--       0.711                  0.714                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01    -0.01  -0.03   0.02    -0.00  -0.00  -0.00
     2   6     0.00  -0.01  -0.02    -0.10  -0.10  -0.08    -0.04  -0.04  -0.05
     3   6     0.00  -0.00  -0.02     0.00  -0.04   0.01    -0.00   0.01   0.00
     4   8     0.01  -0.04   0.06    -0.00   0.01  -0.08    -0.03   0.02   0.01
     5   6     0.00   0.00  -0.02     0.01  -0.01   0.01     0.01   0.02   0.00
     6   6    -0.00  -0.01  -0.01     0.01  -0.01   0.02     0.01   0.02   0.01
     7   6    -0.02  -0.02  -0.04     0.01  -0.02   0.01     0.04   0.02   0.02
     8   6     0.00   0.01   0.06     0.07   0.09   0.08    -0.01  -0.00   0.04
     9   1     0.02  -0.02  -0.02    -0.29  -0.18  -0.03    -0.17  -0.08  -0.03
    10   1    -0.01   0.01  -0.01    -0.07  -0.13  -0.30    -0.01  -0.07  -0.18
    11   6     0.05  -0.12  -0.07    -0.03   0.03   0.01     0.03  -0.06  -0.03
    12   6    -0.05   0.16   0.05     0.03   0.05   0.01    -0.00   0.01   0.01
    13   6    -0.00   0.01  -0.02     0.01  -0.00   0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.00  -0.02     0.01  -0.01   0.01     0.02   0.03   0.01
    15   1    -0.04   0.00  -0.06     0.11  -0.08   0.04     0.12  -0.04   0.06
    16   1    -0.03  -0.05  -0.04    -0.01   0.08   0.06     0.04   0.11   0.05
    17   1     0.01   0.09   0.14     0.03  -0.08  -0.12    -0.06  -0.03   0.01
    18   1     0.00   0.04  -0.00    -0.07   0.16   0.40    -0.03  -0.01   0.13
    19   1     0.00  -0.09   0.11     0.36   0.33   0.03     0.06   0.03   0.04
    20   1     0.05  -0.09  -0.06     0.03  -0.18  -0.07    -0.09   0.31   0.13
    21   1     0.18  -0.14  -0.12    -0.25   0.14  -0.06     0.45  -0.25   0.06
    22   1    -0.03  -0.24  -0.07     0.12   0.16   0.16    -0.24  -0.31  -0.33
    23   1    -0.01  -0.15  -0.07     0.07   0.03   0.02    -0.06   0.24   0.09
    24   1     0.26   0.51   0.09     0.08   0.10   0.01    -0.16  -0.19   0.08
    25   1    -0.47   0.31   0.23    -0.03   0.09  -0.01     0.20  -0.04  -0.13
    26   1     0.01   0.02  -0.01     0.02   0.01   0.02     0.02   0.02   0.00
    27   1     0.00   0.02  -0.03     0.02   0.00  -0.02     0.02   0.01  -0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    261.9692               294.6577               301.5279
 Red. masses --      2.2925                 3.5742                 2.4436
 Frc consts  --      0.0927                 0.1828                 0.1309
 IR Inten    --      0.2854                 5.0270                 0.6846
 RamAct Fr= 1--      1.6783                 1.0015                 0.7209
  Dep-P Fr= 1--      0.4149                 0.6265                 0.7376
  Dep-U Fr= 1--      0.5865                 0.7703                 0.8490
 Alpha2 Fr= 1--      0.0118                 0.0023                 0.0002
 Beta2  Fr= 1--      0.1640                 0.1286                 0.1020
 AlphaG Fr= 1--     -0.0022                 0.0016                 0.0001
 Gamma2 Fr= 1--      0.1523                 0.0454                -0.7074
 Delta2 Fr= 1--      0.0856                 0.1651                -0.0645
 Raman1 Fr= 1--       6.713                  4.006                  2.884
 ROA1   Fr= 1--      17.355                  9.642                -69.971
 CID1   Fr= 1--       2.585                  2.407                -24.264
 Raman2 Fr= 1--       1.969                  1.543                  1.224
 ROA2   Fr= 1--       2.970                 -0.232                -16.461
 CID2   Fr= 1--       1.509                 -0.150                -13.447
 Raman3 Fr= 1--       3.937                  3.086                  2.448
 ROA3   Fr= 1--      17.355                  9.642                -69.971
 CID3   Fr= 1--       4.408                  3.124                -28.580
 RC180  Fr= 1--       0.173                  0.541                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.04     0.02   0.02   0.05    -0.02   0.02  -0.09
     2   6     0.08   0.01   0.04    -0.03  -0.05  -0.04    -0.05   0.08  -0.05
     3   6    -0.01  -0.05  -0.06     0.07  -0.01   0.02     0.01  -0.02  -0.08
     4   8    -0.05  -0.07  -0.01     0.32  -0.02  -0.00     0.07  -0.07  -0.00
     5   6    -0.02  -0.01  -0.03    -0.02  -0.03  -0.01     0.01  -0.02  -0.06
     6   6     0.01  -0.04  -0.03    -0.02  -0.02  -0.02    -0.01  -0.03  -0.01
     7   6     0.05  -0.02   0.00    -0.00  -0.03  -0.02     0.01   0.10   0.11
     8   6     0.14   0.14   0.03    -0.05  -0.08  -0.07    -0.09  -0.05   0.11
     9   1     0.19   0.08   0.01    -0.13  -0.14   0.00    -0.19   0.16  -0.06
    10   1     0.07   0.01   0.18    -0.03  -0.04  -0.17    -0.03   0.05  -0.14
    11   6    -0.05   0.09   0.02    -0.14   0.09  -0.02     0.10   0.09   0.08
    12   6    -0.12   0.03   0.05    -0.12   0.10   0.09    -0.03  -0.03  -0.03
    13   6    -0.04  -0.10  -0.03    -0.01   0.02   0.03    -0.03  -0.07  -0.06
    14   1     0.02  -0.03  -0.03    -0.04  -0.02  -0.05    -0.04  -0.10   0.03
    15   1     0.00  -0.01   0.02     0.03  -0.06   0.00     0.09  -0.01   0.27
    16   1     0.07  -0.03  -0.02     0.01   0.01  -0.01     0.03   0.28   0.17
    17   1     0.32   0.24   0.18    -0.09  -0.15  -0.15    -0.28   0.05   0.19
    18   1     0.04   0.35  -0.10     0.03  -0.21  -0.07    -0.08  -0.10   0.19
    19   1     0.19   0.03   0.10    -0.17  -0.01  -0.13     0.02  -0.19   0.21
    20   1    -0.13   0.27   0.10    -0.25   0.17   0.08     0.18   0.22   0.06
    21   1     0.02   0.01   0.14    -0.14   0.06   0.06     0.05   0.04   0.26
    22   1    -0.10   0.10  -0.16    -0.14   0.16  -0.20     0.14   0.14   0.08
    23   1    -0.24   0.18   0.05    -0.25   0.34   0.13    -0.01  -0.18  -0.10
    24   1    -0.17  -0.09   0.21    -0.15  -0.03   0.33     0.08   0.09  -0.06
    25   1    -0.07   0.02  -0.01    -0.09   0.14  -0.06    -0.16  -0.01   0.08
    26   1    -0.09  -0.15  -0.09    -0.03   0.02   0.02    -0.00  -0.13  -0.12
    27   1    -0.03  -0.15   0.06    -0.06   0.05   0.05    -0.02  -0.10  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    328.3508               373.0568               425.6878
 Red. masses --      2.3241                 2.1755                 2.9510
 Frc consts  --      0.1476                 0.1784                 0.3151
 IR Inten    --      0.1815                 0.3341                 0.7580
 RamAct Fr= 1--      0.2427                 1.0193                 1.6077
  Dep-P Fr= 1--      0.6182                 0.3191                 0.6662
  Dep-U Fr= 1--      0.7641                 0.4838                 0.7996
 Alpha2 Fr= 1--      0.0006                 0.0099                 0.0024
 Beta2  Fr= 1--      0.0309                 0.0822                 0.2143
 AlphaG Fr= 1--     -0.0022                 0.0343                 0.0089
 Gamma2 Fr= 1--      0.0508                 0.2351                 0.3034
 Delta2 Fr= 1--     -0.0197                 0.0424                 0.1091
 Raman1 Fr= 1--       0.971                  4.077                  6.431
 ROA1   Fr= 1--       4.244                 23.922                 32.617
 CID1   Fr= 1--       4.373                  5.867                  5.072
 Raman2 Fr= 1--       0.371                  0.986                  2.571
 ROA2   Fr= 1--       1.377                  5.303                  6.409
 CID2   Fr= 1--       3.713                  5.377                  2.493
 Raman3 Fr= 1--       0.742                  1.972                  5.142
 ROA3   Fr= 1--       4.244                 23.922                 32.617
 CID3   Fr= 1--       5.723                 12.128                  6.343
 RC180  Fr= 1--       0.528                 -0.032                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03   0.11    -0.04  -0.04   0.03    -0.05   0.04  -0.06
     2   6    -0.02  -0.09   0.05    -0.05  -0.01   0.05     0.10   0.03  -0.03
     3   6    -0.01  -0.00   0.02    -0.00  -0.05  -0.02    -0.04  -0.05   0.01
     4   8     0.02  -0.00   0.01     0.01  -0.05  -0.03     0.03  -0.03  -0.03
     5   6    -0.01   0.02  -0.07     0.01  -0.02  -0.03    -0.07  -0.11   0.11
     6   6    -0.04   0.04  -0.06    -0.04  -0.03  -0.01    -0.04   0.00  -0.09
     7   6     0.11   0.03   0.04    -0.12  -0.05  -0.04     0.14   0.04  -0.02
     8   6     0.01   0.05  -0.12    -0.01  -0.00  -0.01    -0.07   0.06  -0.02
     9   1    -0.13  -0.17   0.09     0.10   0.01   0.03     0.14   0.08  -0.05
    10   1     0.04  -0.19  -0.07    -0.08   0.04   0.19     0.14  -0.05   0.05
    11   6     0.13   0.01   0.02     0.12   0.05   0.09    -0.10  -0.12   0.15
    12   6    -0.05  -0.02  -0.05     0.11   0.16  -0.05     0.12   0.04   0.05
    13   6    -0.13   0.01   0.08    -0.03   0.00   0.01    -0.07   0.05  -0.07
    14   1    -0.10   0.06  -0.13    -0.08  -0.07  -0.02    -0.04   0.07  -0.15
    15   1     0.22  -0.07   0.15    -0.21   0.03  -0.15     0.19  -0.09   0.22
    16   1     0.20   0.18   0.02    -0.15  -0.18  -0.07     0.29   0.30  -0.05
    17   1     0.24  -0.05  -0.19     0.04  -0.02  -0.02    -0.06   0.08  -0.01
    18   1     0.02   0.09  -0.25    -0.02   0.02  -0.03    -0.09   0.09  -0.02
    19   1    -0.15   0.18  -0.22    -0.03   0.02  -0.03    -0.04   0.05  -0.01
    20   1     0.23   0.09  -0.02     0.22   0.25   0.07    -0.10  -0.14   0.15
    21   1     0.18  -0.04   0.10     0.17  -0.05   0.28    -0.09  -0.12   0.12
    22   1     0.11  -0.05   0.09     0.10   0.03   0.08    -0.12  -0.15   0.15
    23   1    -0.04  -0.18  -0.13     0.18   0.41   0.13     0.33   0.12   0.23
    24   1     0.05   0.11  -0.09     0.02   0.02   0.02     0.15   0.10  -0.01
    25   1    -0.19  -0.01   0.08     0.24   0.20  -0.35     0.08   0.14  -0.19
    26   1    -0.22   0.04   0.08    -0.01   0.05   0.06    -0.09   0.05  -0.08
    27   1    -0.14  -0.00   0.13    -0.03   0.02  -0.05    -0.08   0.05  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    450.9906               512.4600               525.1648
 Red. masses --      2.0847                 3.1654                 3.2293
 Frc consts  --      0.2498                 0.4898                 0.5247
 IR Inten    --      0.5135                 2.4882                 2.2744
 RamAct Fr= 1--      1.5940                 1.0741                 1.3852
  Dep-P Fr= 1--      0.1913                 0.6345                 0.2574
  Dep-U Fr= 1--      0.3211                 0.7764                 0.4095
 Alpha2 Fr= 1--      0.0222                 0.0022                 0.0161
 Beta2  Fr= 1--      0.0853                 0.1390                 0.0945
 AlphaG Fr= 1--     -0.0293                 0.0050                 0.0329
 Gamma2 Fr= 1--     -0.3894                 0.1108                -0.1553
 Delta2 Fr= 1--     -0.0992                -0.0100                 0.0824
 Raman1 Fr= 1--       6.376                  4.296                  5.541
 ROA1   Fr= 1--     -40.555                 10.314                -12.271
 CID1   Fr= 1--      -6.361                  2.401                 -2.215
 Raman2 Fr= 1--       1.024                  1.668                  1.134
 ROA2   Fr= 1--      -8.552                  2.739                 -4.385
 CID2   Fr= 1--      -8.353                  1.643                 -3.866
 Raman3 Fr= 1--       2.047                  3.335                  2.269
 ROA3   Fr= 1--     -40.555                 10.314                -12.271
 CID3   Fr= 1--     -19.807                  3.092                 -5.409
 RC180  Fr= 1--      -0.358                  0.553                 -0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.04     0.02   0.00   0.04     0.19   0.07   0.02
     2   6    -0.01   0.01   0.08    -0.05   0.07  -0.00     0.05   0.04  -0.06
     3   6    -0.02  -0.09  -0.00     0.08  -0.09  -0.00     0.06   0.07   0.02
     4   8    -0.04  -0.07  -0.05    -0.10  -0.07  -0.05    -0.12   0.09   0.05
     5   6     0.01  -0.05  -0.05     0.18  -0.05   0.02    -0.04  -0.08  -0.04
     6   6    -0.02  -0.02  -0.01    -0.01   0.06  -0.08    -0.13  -0.12  -0.08
     7   6     0.01   0.05   0.09    -0.03   0.11  -0.05    -0.03  -0.07   0.04
     8   6     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.17  -0.12   0.01
     9   1     0.03   0.10   0.05    -0.09   0.04   0.01    -0.12  -0.05  -0.01
    10   1     0.01  -0.04   0.17    -0.04   0.06  -0.06     0.01   0.19  -0.30
    11   6    -0.02   0.01  -0.04     0.03   0.04  -0.09    -0.02  -0.01   0.06
    12   6    -0.05  -0.01  -0.01     0.11  -0.04   0.20    -0.03   0.03  -0.05
    13   6     0.11   0.18  -0.03    -0.13   0.03   0.04    -0.05   0.04   0.00
    14   1    -0.07  -0.09  -0.00    -0.14  -0.01  -0.14    -0.16  -0.11  -0.12
    15   1     0.02  -0.01   0.20    -0.04   0.11  -0.03    -0.04  -0.17   0.27
    16   1     0.08   0.15   0.06    -0.02   0.10  -0.06     0.07   0.14   0.03
    17   1     0.07  -0.05  -0.02    -0.05  -0.08  -0.05     0.04  -0.14  -0.04
    18   1     0.01  -0.00  -0.02     0.09  -0.16  -0.02     0.29  -0.30   0.01
    19   1     0.00   0.01  -0.02    -0.09  -0.03  -0.04     0.06  -0.12  -0.02
    20   1    -0.03   0.06  -0.02    -0.20  -0.06   0.03     0.03   0.09   0.05
    21   1    -0.04   0.00   0.01    -0.04   0.11  -0.19    -0.09  -0.04   0.20
    22   1    -0.01   0.06  -0.09     0.05   0.16  -0.27     0.03   0.07   0.05
    23   1    -0.09   0.01  -0.03    -0.03   0.02   0.13     0.01   0.11   0.02
    24   1    -0.01   0.00   0.08     0.18  -0.05   0.41     0.03   0.07   0.03
    25   1    -0.10   0.01   0.00     0.03  -0.00   0.21    -0.10   0.11  -0.16
    26   1     0.35   0.43   0.25    -0.36   0.00  -0.06     0.01  -0.01  -0.02
    27   1     0.12   0.38  -0.44    -0.13  -0.08   0.22    -0.27   0.22   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    600.0471               665.9029               724.8237
 Red. masses --      3.7208                 3.3856                 4.5367
 Frc consts  --      0.7893                 0.8845                 1.4043
 IR Inten    --      0.6131                 1.7742                 0.6350
 RamAct Fr= 1--     12.9208                11.2763                 3.3683
  Dep-P Fr= 1--      0.0457                 0.0622                 0.3136
  Dep-U Fr= 1--      0.0875                 0.1171                 0.4775
 Alpha2 Fr= 1--      0.2578                 0.2163                 0.0332
 Beta2  Fr= 1--      0.1884                 0.2202                 0.2680
 AlphaG Fr= 1--     -0.0364                -0.0794                -0.0139
 Gamma2 Fr= 1--      0.0447                -0.4138                -0.2303
 Delta2 Fr= 1--     -0.0833                 0.0252                 0.6532
 Raman1 Fr= 1--      51.683                 45.105                 13.473
 ROA1   Fr= 1--       1.626                -38.915                 -1.213
 CID1   Fr= 1--       0.031                 -0.863                 -0.090
 Raman2 Fr= 1--       2.261                  2.642                  3.216
 ROA2   Fr= 1--       1.739                -10.132                -10.754
 CID2   Fr= 1--       0.769                 -3.835                 -3.343
 Raman3 Fr= 1--       4.522                  5.284                  6.433
 ROA3   Fr= 1--       1.626                -38.915                 -1.213
 CID3   Fr= 1--       0.360                 -7.365                 -0.188
 RC180  Fr= 1--      -0.825                 -0.766                 -0.045
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.13   0.01     0.06   0.13   0.10    -0.05  -0.06   0.07
     2   6    -0.08   0.05   0.04     0.04   0.11  -0.05    -0.09   0.04   0.05
     3   6    -0.00  -0.07   0.03    -0.01  -0.12  -0.01    -0.02   0.00   0.29
     4   8     0.06  -0.04  -0.04    -0.06  -0.12  -0.07    -0.01   0.18   0.04
     5   6    -0.10   0.09   0.05    -0.02  -0.07  -0.04     0.04  -0.15  -0.09
     6   6     0.01   0.17  -0.02     0.14   0.01   0.04     0.08  -0.08  -0.17
     7   6    -0.05   0.20  -0.04     0.05   0.07  -0.06    -0.01   0.16  -0.09
     8   6     0.22  -0.17   0.02    -0.06   0.06   0.01    -0.06   0.02   0.01
     9   1    -0.07   0.12   0.01    -0.19  -0.08   0.04     0.04   0.04   0.04
    10   1    -0.07   0.02   0.07     0.07   0.10  -0.35    -0.05  -0.07   0.21
    11   6    -0.06  -0.06   0.09    -0.05  -0.06   0.06     0.01  -0.03  -0.01
    12   6    -0.05   0.03  -0.06    -0.09   0.02  -0.12    -0.03  -0.02  -0.06
    13   6    -0.03  -0.02  -0.06     0.09   0.02   0.19     0.14  -0.14  -0.08
    14   1     0.11   0.16   0.10     0.09   0.02  -0.02     0.04  -0.23  -0.07
    15   1    -0.03   0.23  -0.13    -0.09   0.23  -0.26    -0.02   0.10   0.05
    16   1    -0.05   0.12  -0.08    -0.09  -0.20  -0.04     0.04   0.23  -0.11
    17   1     0.27  -0.17   0.03    -0.17   0.01  -0.06     0.02   0.01   0.02
    18   1     0.19  -0.12   0.02     0.10  -0.16  -0.01    -0.12   0.11   0.02
    19   1     0.26  -0.17   0.03    -0.24   0.08  -0.04    -0.02   0.05   0.01
    20   1     0.00  -0.14   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
    21   1     0.06  -0.06  -0.04    -0.07  -0.09   0.17    -0.07  -0.05   0.11
    22   1    -0.14  -0.24   0.22    -0.03  -0.04   0.09     0.08   0.08  -0.06
    23   1     0.07  -0.04  -0.02    -0.08   0.07  -0.10    -0.11   0.18  -0.01
    24   1    -0.10   0.04  -0.24    -0.07   0.03  -0.07     0.14   0.04   0.30
    25   1     0.02  -0.00  -0.06    -0.12   0.06  -0.19    -0.26   0.16  -0.23
    26   1    -0.25   0.05  -0.06    -0.02  -0.08   0.07     0.01  -0.16  -0.13
    27   1     0.06  -0.15   0.03     0.05  -0.03   0.36     0.18  -0.23   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    789.0077               831.2801               839.0778
 Red. masses --      2.6637                 1.8084                 2.4409
 Frc consts  --      0.9770                 0.7363                 1.0125
 IR Inten    --      0.3440                 3.1922                 3.1840
 RamAct Fr= 1--      0.9518                 5.4694                 2.1821
  Dep-P Fr= 1--      0.7225                 0.0494                 0.3044
  Dep-U Fr= 1--      0.8389                 0.0942                 0.4667
 Alpha2 Fr= 1--      0.0005                 0.1082                 0.0221
 Beta2  Fr= 1--      0.1331                 0.0859                 0.1697
 AlphaG Fr= 1--      0.0011                -0.0782                 0.0284
 Gamma2 Fr= 1--      0.7833                -0.3595                -1.1610
 Delta2 Fr= 1--     -0.2015                 0.0389                -0.4549
 Raman1 Fr= 1--       3.807                 21.878                  8.728
 ROA1   Fr= 1--      68.747                -33.271               -126.017
 CID1   Fr= 1--      18.058                 -1.521                -14.438
 Raman2 Fr= 1--       1.597                  1.030                  2.037
 ROA2   Fr= 1--      20.412                 -8.940                -24.226
 CID2   Fr= 1--      12.783                 -8.678                -11.895
 Raman3 Fr= 1--       3.194                  2.060                  4.073
 ROA3   Fr= 1--      68.747                -33.271               -126.017
 CID3   Fr= 1--      21.526                -16.148                -30.937
 RC180  Fr= 1--       0.678                 -0.812                 -0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.02    -0.02  -0.02  -0.06     0.10   0.11   0.04
     2   6     0.03   0.04  -0.12    -0.05  -0.05  -0.08    -0.08  -0.13   0.14
     3   6    -0.03  -0.17   0.23     0.04   0.04  -0.03     0.10  -0.02  -0.06
     4   8     0.01  -0.02  -0.07    -0.01   0.01   0.02    -0.04  -0.04  -0.02
     5   6    -0.04   0.08   0.05     0.06  -0.08  -0.04     0.01   0.04   0.02
     6   6    -0.01  -0.02   0.01     0.02   0.09   0.08    -0.02   0.05  -0.03
     7   6    -0.03  -0.09   0.02    -0.02  -0.01  -0.01    -0.06  -0.01  -0.02
     8   6    -0.00   0.02  -0.00     0.02  -0.03  -0.02    -0.02   0.09   0.01
     9   1     0.36   0.16  -0.19     0.42   0.08  -0.17     0.14  -0.27   0.16
    10   1    -0.07   0.18   0.26    -0.14   0.05   0.42    -0.16   0.04   0.22
    11   6     0.06   0.08  -0.07    -0.01  -0.06   0.03    -0.02  -0.01   0.04
    12   6    -0.03   0.02  -0.01    -0.03  -0.01  -0.07    -0.02   0.02  -0.02
    13   6    -0.01   0.03   0.01    -0.01   0.07   0.10     0.07  -0.02  -0.13
    14   1     0.05   0.07  -0.02    -0.05   0.10  -0.00     0.10   0.01   0.11
    15   1     0.13  -0.25   0.21     0.30  -0.16  -0.01     0.22  -0.20   0.12
    16   1    -0.06   0.22   0.16    -0.11   0.25   0.16     0.09   0.28  -0.03
    17   1    -0.10   0.01  -0.02    -0.01   0.03   0.04    -0.30   0.05  -0.08
    18   1     0.06  -0.09   0.02    -0.04   0.04   0.04     0.22  -0.27  -0.00
    19   1    -0.05  -0.00  -0.00     0.15  -0.09   0.04    -0.30   0.06  -0.03
    20   1     0.16  -0.02  -0.16    -0.09   0.03   0.10    -0.07  -0.07   0.06
    21   1     0.24   0.07  -0.22    -0.17  -0.06   0.18    -0.01   0.01  -0.03
    22   1    -0.05  -0.16   0.11     0.08   0.14  -0.10    -0.05  -0.05   0.04
    23   1    -0.05  -0.02  -0.04    -0.09   0.07  -0.07    -0.02  -0.02  -0.04
    24   1    -0.09  -0.02  -0.08     0.06   0.01   0.11    -0.05   0.01  -0.09
    25   1     0.03  -0.04   0.07    -0.14   0.06  -0.11     0.01  -0.02   0.03
    26   1    -0.04  -0.10  -0.11    -0.12   0.01   0.01     0.00  -0.16  -0.27
    27   1    -0.13   0.04   0.20     0.08  -0.07   0.19     0.05  -0.10   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    847.1710               895.6939               899.6128
 Red. masses --      2.5453                 2.4307                 2.3177
 Frc consts  --      1.0763                 1.1490                 1.1051
 IR Inten    --      0.5954                 0.2383                 1.0447
 RamAct Fr= 1--      0.9500                 4.7511                 2.6680
  Dep-P Fr= 1--      0.5907                 0.1120                 0.6104
  Dep-U Fr= 1--      0.7427                 0.2015                 0.7581
 Alpha2 Fr= 1--      0.0028                 0.0808                 0.0069
 Beta2  Fr= 1--      0.1176                 0.1595                 0.3371
 AlphaG Fr= 1--     -0.0161                -0.0361                 0.0276
 Gamma2 Fr= 1--      0.3739                -0.1590                 0.1500
 Delta2 Fr= 1--      0.2595                -0.1512                -0.1650
 Raman1 Fr= 1--       3.800                 19.004                 10.672
 ROA1   Fr= 1--      44.196                -20.104                  9.123
 CID1   Fr= 1--      11.631                 -1.058                  0.855
 Raman2 Fr= 1--       1.411                  1.914                  4.045
 ROA2   Fr= 1--       6.897                 -2.607                  4.921
 CID2   Fr= 1--       4.888                 -1.362                  1.217
 Raman3 Fr= 1--       2.822                  3.829                  8.090
 ROA3   Fr= 1--      44.196                -20.104                  9.123
 CID3   Fr= 1--      15.661                 -5.251                  1.128
 RC180  Fr= 1--       0.485                 -0.597                  0.516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.11    -0.01   0.02   0.09     0.02   0.07  -0.10
     2   6     0.05  -0.08   0.04     0.12  -0.06  -0.12    -0.04  -0.04   0.09
     3   6     0.07  -0.07   0.14    -0.04   0.01  -0.03    -0.08  -0.01   0.01
     4   8    -0.02   0.03  -0.02     0.00  -0.01   0.00     0.01  -0.01  -0.01
     5   6     0.03  -0.06  -0.01    -0.06  -0.03  -0.01    -0.08  -0.03   0.01
     6   6    -0.06   0.10   0.14    -0.10  -0.00   0.15    -0.13   0.05   0.00
     7   6     0.06   0.01   0.09    -0.05   0.16  -0.07     0.03   0.03  -0.07
     8   6    -0.00   0.02  -0.03     0.01  -0.00   0.06     0.05  -0.01  -0.06
     9   1    -0.19   0.05   0.03     0.30  -0.24  -0.08    -0.07  -0.05   0.10
    10   1     0.14  -0.25  -0.10     0.11  -0.04  -0.01    -0.02  -0.06   0.01
    11   6     0.01  -0.01  -0.01     0.02   0.01  -0.07     0.03   0.04  -0.08
    12   6    -0.02  -0.01  -0.07     0.02  -0.03   0.05     0.01  -0.04   0.06
    13   6    -0.10   0.05  -0.13     0.00  -0.05  -0.04     0.10  -0.03   0.14
    14   1    -0.03   0.02   0.24    -0.04  -0.20   0.40    -0.29   0.08  -0.18
    15   1    -0.11   0.27  -0.31     0.12   0.09  -0.10     0.07   0.02  -0.08
    16   1     0.03  -0.47  -0.06    -0.07   0.26  -0.02     0.23   0.05  -0.22
    17   1    -0.16   0.07   0.00     0.21  -0.17  -0.09    -0.26   0.18   0.10
    18   1     0.03  -0.06   0.03     0.09  -0.04  -0.11     0.02  -0.06   0.15
    19   1     0.03  -0.07   0.02    -0.23   0.19  -0.09     0.30  -0.27   0.12
    20   1     0.02   0.04  -0.01     0.13   0.16  -0.10     0.16   0.12  -0.15
    21   1    -0.05  -0.02   0.08    -0.06  -0.03   0.12     0.04   0.00   0.01
    22   1     0.06   0.06  -0.02     0.09   0.10  -0.03     0.04   0.01   0.02
    23   1    -0.13   0.12  -0.07     0.12  -0.02   0.12     0.15   0.00   0.17
    24   1     0.08   0.01   0.18     0.04   0.02   0.02     0.07   0.03   0.03
    25   1    -0.18   0.10  -0.14    -0.01   0.01  -0.03    -0.03   0.04  -0.08
    26   1    -0.03  -0.06  -0.21     0.21  -0.12  -0.03     0.30  -0.21   0.04
    27   1    -0.10   0.01  -0.05    -0.04   0.01  -0.08     0.09  -0.03   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --    939.9711               954.0769               965.2187
 Red. masses --      2.4617                 1.9587                 1.6054
 Frc consts  --      1.2815                 1.0505                 0.8812
 IR Inten    --     11.8573                 7.0058                 0.2782
 RamAct Fr= 1--      9.6456                 2.7338                 3.7835
  Dep-P Fr= 1--      0.2757                 0.7225                 0.5205
  Dep-U Fr= 1--      0.4322                 0.8389                 0.6846
 Alpha2 Fr= 1--      0.1063                 0.0013                 0.0169
 Beta2  Fr= 1--      0.6949                 0.3822                 0.4317
 AlphaG Fr= 1--      0.0479                -0.0094                 0.0380
 Gamma2 Fr= 1--      0.0206                -0.4684                 0.5697
 Delta2 Fr= 1--     -0.0428                -0.9401                 0.0927
 Raman1 Fr= 1--      38.582                 10.935                 15.134
 ROA1   Fr= 1--       0.603                -75.046                 57.655
 CID1   Fr= 1--       0.016                 -6.863                  3.810
 Raman2 Fr= 1--       8.339                  4.587                  5.181
 ROA2   Fr= 1--       0.836                 -3.720                 12.930
 CID2   Fr= 1--       0.100                 -0.811                  2.496
 Raman3 Fr= 1--      16.677                  9.174                 10.361
 ROA3   Fr= 1--       0.603                -75.046                 57.655
 CID3   Fr= 1--       0.036                 -8.181                  5.564
 RC180  Fr= 1--      -0.136                  0.678                  0.369
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.02    -0.02  -0.03   0.05    -0.00   0.01   0.02
     2   6     0.02   0.01  -0.06    -0.01   0.11  -0.03    -0.08   0.04  -0.00
     3   6     0.17  -0.03   0.04     0.06  -0.01  -0.00    -0.01   0.00  -0.00
     4   8    -0.02   0.00  -0.01    -0.01  -0.01  -0.00     0.00   0.01   0.00
     5   6     0.10   0.10   0.01    -0.01  -0.03   0.02    -0.03   0.02  -0.09
     6   6    -0.15  -0.05   0.01    -0.10   0.14   0.02     0.02  -0.00   0.02
     7   6     0.02   0.07  -0.06     0.03  -0.13   0.01     0.08  -0.04  -0.02
     8   6    -0.04   0.02  -0.02    -0.02  -0.01   0.06     0.03   0.01   0.02
     9   1     0.06   0.03  -0.07    -0.12   0.16  -0.03     0.03   0.13  -0.04
    10   1     0.07  -0.12   0.04    -0.05   0.21  -0.11    -0.11   0.07   0.13
    11   6    -0.04  -0.02   0.10     0.02   0.00  -0.02    -0.10  -0.03  -0.03
    12   6     0.00   0.07  -0.06    -0.02  -0.03  -0.01     0.11   0.00   0.04
    13   6    -0.01  -0.10   0.09     0.05  -0.06  -0.03    -0.03  -0.02  -0.02
    14   1    -0.32  -0.10  -0.10    -0.09   0.39  -0.19     0.07   0.06   0.01
    15   1     0.00   0.07  -0.05     0.03  -0.14   0.04     0.14  -0.01  -0.13
    16   1     0.08   0.04  -0.12     0.14  -0.05  -0.05     0.03  -0.08   0.01
    17   1    -0.09   0.07   0.02     0.22  -0.17  -0.08    -0.04  -0.03  -0.04
    18   1    -0.08   0.05   0.03     0.03   0.01  -0.12     0.13  -0.12  -0.01
    19   1     0.02  -0.03   0.02    -0.23   0.20  -0.08    -0.10   0.01  -0.01
    20   1    -0.13  -0.16   0.12    -0.03   0.02   0.02     0.34   0.23  -0.24
    21   1     0.05   0.03  -0.11    -0.05   0.01   0.01    -0.06  -0.19   0.33
    22   1    -0.12  -0.12   0.09     0.06   0.08  -0.08    -0.03  -0.09   0.32
    23   1    -0.26  -0.02  -0.28     0.08   0.06   0.10    -0.23   0.00  -0.18
    24   1    -0.12  -0.07  -0.04     0.08   0.06   0.04     0.08  -0.12   0.28
    25   1     0.10  -0.09   0.24    -0.13   0.09  -0.19     0.06  -0.07   0.30
    26   1     0.39  -0.04   0.27     0.16  -0.06   0.01     0.10  -0.00   0.04
    27   1     0.02   0.05  -0.28     0.35  -0.27  -0.20    -0.07   0.06  -0.10
                     28                     29                     30
                      A                      A                      A
 Frequencies --    969.3696              1008.7267              1018.8189
 Red. masses --      1.8796                 1.5249                 1.4529
 Frc consts  --      1.0406                 0.9142                 0.8885
 IR Inten    --      4.7787                 9.9982                 3.7344
 RamAct Fr= 1--      2.3803                 2.0604                 1.2590
  Dep-P Fr= 1--      0.2248                 0.7500                 0.7234
  Dep-U Fr= 1--      0.3670                 0.8571                 0.8395
 Alpha2 Fr= 1--      0.0302                 0.0000                 0.0006
 Beta2  Fr= 1--      0.1456                 0.2943                 0.1762
 AlphaG Fr= 1--     -0.0191                -0.0009                -0.0045
 Gamma2 Fr= 1--      0.6179                -0.3320                -1.2006
 Delta2 Fr= 1--      0.0953                -0.1474                -0.5698
 Raman1 Fr= 1--       9.521                  8.241                  5.036
 ROA1   Fr= 1--      62.362                -36.588               -133.494
 CID1   Fr= 1--       6.550                 -4.439                -26.508
 Raman2 Fr= 1--       1.747                  3.532                  2.114
 ROA2   Fr= 1--      14.066                 -6.789                -24.257
 CID2   Fr= 1--       8.051                 -1.922                -11.475
 Raman3 Fr= 1--       3.495                  7.064                  4.228
 ROA3   Fr= 1--      62.362                -36.588               -133.494
 CID3   Fr= 1--      17.846                 -5.180                -31.575
 RC180  Fr= 1--      -0.266                  0.714                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.03  -0.02  -0.01    -0.01   0.02   0.00
     2   6     0.12  -0.06  -0.01     0.06  -0.01   0.01    -0.02  -0.06  -0.06
     3   6    -0.05  -0.01   0.01     0.09  -0.00  -0.01    -0.05   0.03  -0.04
     4   8     0.01  -0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
     5   6     0.03   0.03  -0.05    -0.04  -0.02   0.01     0.00   0.01  -0.03
     6   6    -0.05   0.07  -0.05     0.04   0.04  -0.02     0.01   0.01  -0.06
     7   6    -0.12   0.00   0.08    -0.07   0.01   0.01     0.02   0.03   0.09
     8   6    -0.03  -0.03   0.00    -0.03   0.02  -0.04     0.04   0.02   0.04
     9   1    -0.05  -0.12   0.03     0.03  -0.25   0.08     0.14   0.10  -0.13
    10   1     0.13  -0.03  -0.19     0.03   0.09  -0.14    -0.01  -0.13   0.20
    11   6    -0.05  -0.02   0.02    -0.04   0.06  -0.02    -0.01   0.05   0.05
    12   6     0.07   0.02  -0.01     0.01  -0.07  -0.00     0.01  -0.06   0.00
    13   6     0.10   0.05   0.00    -0.05  -0.06   0.04     0.01  -0.02   0.02
    14   1    -0.22   0.05  -0.20     0.21   0.13   0.07    -0.20  -0.00  -0.25
    15   1    -0.22  -0.01   0.22    -0.01  -0.06   0.09    -0.06   0.18  -0.15
    16   1    -0.07   0.04   0.05    -0.14   0.15   0.11    -0.22  -0.22   0.19
    17   1     0.18  -0.04   0.02    -0.15   0.13   0.05    -0.02  -0.08  -0.08
    18   1    -0.14   0.16  -0.04    -0.08   0.05   0.06     0.21  -0.18  -0.04
    19   1     0.06   0.07  -0.02     0.10  -0.10   0.04    -0.19   0.07  -0.03
    20   1     0.11   0.05  -0.06     0.19   0.02  -0.18    -0.06  -0.19   0.03
    21   1    -0.01  -0.08   0.12     0.16  -0.01  -0.04     0.19   0.10  -0.27
    22   1    -0.05  -0.08   0.16    -0.13  -0.20   0.25    -0.17  -0.19   0.08
    23   1    -0.25   0.02  -0.21     0.02   0.12   0.09     0.05   0.09   0.10
    24   1     0.04  -0.10   0.21     0.17   0.04   0.22     0.15   0.04   0.17
    25   1     0.04  -0.06   0.24    -0.21   0.11  -0.19    -0.14   0.09  -0.18
    26   1    -0.12  -0.14  -0.23    -0.09   0.26   0.29     0.21  -0.13  -0.02
    27   1     0.22  -0.21   0.30     0.08  -0.02  -0.26    -0.03   0.04  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1033.2111              1042.2857              1092.8148
 Red. masses --      1.8459                 1.5506                 1.3313
 Frc consts  --      1.1610                 0.9925                 0.9368
 IR Inten    --     24.7410                10.7653                 1.1453
 RamAct Fr= 1--      1.1162                 1.0828                 2.2996
  Dep-P Fr= 1--      0.7500                 0.5896                 0.7475
  Dep-U Fr= 1--      0.8571                 0.7419                 0.8555
 Alpha2 Fr= 1--      0.0000                 0.0032                 0.0001
 Beta2  Fr= 1--      0.1594                 0.1339                 0.3279
 AlphaG Fr= 1--      0.0002                 0.0106                 0.0008
 Gamma2 Fr= 1--     -0.0477                 0.3432                 2.5507
 Delta2 Fr= 1--      0.0296                 0.3822                 0.4729
 Raman1 Fr= 1--       4.465                  4.331                  9.198
 ROA1   Fr= 1--      -3.633                 45.178                259.997
 CID1   Fr= 1--      -0.814                 10.431                 28.265
 Raman2 Fr= 1--       1.913                  1.607                  3.935
 ROA2   Fr= 1--      -1.382                  5.180                 57.433
 CID2   Fr= 1--      -0.722                  3.224                 14.597
 Raman3 Fr= 1--       3.827                  3.213                  7.869
 ROA3   Fr= 1--      -3.633                 45.178                259.997
 CID3   Fr= 1--      -0.949                 14.060                 33.040
 RC180  Fr= 1--       0.714                  0.484                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.00     0.02  -0.01   0.01    -0.05  -0.04  -0.02
     2   6    -0.01  -0.05  -0.05    -0.05   0.01   0.01     0.01   0.01  -0.02
     3   6     0.17  -0.01   0.01     0.10   0.01  -0.05     0.00   0.03  -0.03
     4   8    -0.03   0.02   0.01    -0.02  -0.01   0.00     0.00   0.01   0.01
     5   6    -0.07  -0.02  -0.03    -0.02  -0.01   0.01     0.00  -0.04   0.05
     6   6     0.01  -0.00  -0.07    -0.03  -0.05   0.03    -0.01  -0.05   0.04
     7   6    -0.00   0.04   0.07     0.04  -0.00  -0.03    -0.01  -0.01  -0.03
     8   6    -0.03   0.03  -0.00    -0.07  -0.06   0.01     0.06   0.06   0.02
     9   1     0.05   0.17  -0.13    -0.05   0.16  -0.03    -0.09   0.17  -0.06
    10   1     0.07  -0.26   0.17    -0.05  -0.00   0.07     0.12  -0.25   0.03
    11   6    -0.03  -0.02  -0.06    -0.03   0.07   0.01    -0.01   0.04  -0.01
    12   6    -0.05   0.03   0.10    -0.00  -0.04  -0.01    -0.00   0.01  -0.03
    13   6     0.02   0.02   0.03     0.05   0.08  -0.01     0.01   0.05   0.02
    14   1    -0.02   0.08  -0.17     0.02  -0.17   0.19    -0.09  -0.20   0.10
    15   1    -0.18   0.15  -0.00     0.08   0.00  -0.08    -0.12  -0.04   0.15
    16   1    -0.11  -0.16   0.09     0.17  -0.04  -0.15     0.22   0.04  -0.21
    17   1    -0.07   0.03  -0.01     0.30  -0.08   0.04    -0.19  -0.01  -0.09
    18   1    -0.02   0.01   0.00    -0.27   0.29  -0.07     0.27  -0.26   0.01
    19   1    -0.06   0.02  -0.01     0.09   0.12  -0.04    -0.19  -0.03   0.00
    20   1     0.17   0.20  -0.14     0.12  -0.07  -0.12     0.08  -0.02  -0.08
    21   1    -0.12  -0.12   0.25     0.21   0.04  -0.15     0.11   0.02  -0.05
    22   1     0.07   0.06   0.07    -0.17  -0.23   0.23    -0.06  -0.09   0.10
    23   1     0.30  -0.17   0.21     0.02   0.06   0.06    -0.07   0.02  -0.06
    24   1    -0.19   0.06  -0.40     0.08   0.03   0.09    -0.01  -0.02   0.03
    25   1     0.20  -0.06  -0.00    -0.11   0.06  -0.12    -0.02  -0.01   0.02
    26   1    -0.06  -0.01  -0.03    -0.04  -0.15  -0.23    -0.35   0.18   0.02
    27   1     0.10  -0.08   0.09    -0.14   0.09   0.33     0.36  -0.30   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7422              1135.1649              1178.2441
 Red. masses --      1.2131                 2.0022                 2.0162
 Frc consts  --      0.9074                 1.5201                 1.6491
 IR Inten    --      4.5107                 2.0199                 1.7198
 RamAct Fr= 1--      4.8399                 4.8252                 3.1692
  Dep-P Fr= 1--      0.6027                 0.6792                 0.7475
  Dep-U Fr= 1--      0.7521                 0.8090                 0.8555
 Alpha2 Fr= 1--      0.0132                 0.0060                 0.0001
 Beta2  Fr= 1--      0.6067                 0.6506                 0.4519
 AlphaG Fr= 1--     -0.0200                -0.0484                -0.0021
 Gamma2 Fr= 1--     -1.7245                 1.0698                -1.2134
 Delta2 Fr= 1--     -0.2811                 1.0206                -0.9459
 Raman1 Fr= 1--      19.359                 19.301                 12.677
 ROA1   Fr= 1--    -174.543                135.356               -146.760
 CID1   Fr= 1--      -9.016                  7.013                -11.577
 Raman2 Fr= 1--       7.280                  7.807                  5.422
 ROA2   Fr= 1--     -39.138                 17.509                -21.555
 CID2   Fr= 1--      -5.376                  2.243                 -3.975
 Raman3 Fr= 1--      14.561                 15.613                 10.845
 ROA3   Fr= 1--    -174.543                135.356               -146.760
 CID3   Fr= 1--     -11.987                  8.669                -13.533
 RC180  Fr= 1--       0.504                  0.618                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.04   0.07  -0.11    -0.10   0.03   0.19
     2   6    -0.00  -0.01  -0.03    -0.01  -0.02   0.08    -0.02   0.08  -0.04
     3   6     0.01   0.01  -0.02     0.04   0.00  -0.01     0.04   0.02  -0.04
     4   8     0.00  -0.01  -0.00    -0.01   0.01   0.00    -0.01  -0.01   0.00
     5   6    -0.03   0.06   0.03     0.01  -0.08   0.13    -0.02  -0.06   0.03
     6   6    -0.02   0.01  -0.02     0.09  -0.04   0.02    -0.04  -0.03   0.03
     7   6    -0.03   0.00  -0.01    -0.02   0.04  -0.06     0.06  -0.01  -0.01
     8   6     0.00   0.02  -0.00     0.01  -0.05   0.07     0.04  -0.02  -0.10
     9   1    -0.08   0.25  -0.10    -0.08  -0.06   0.09     0.13  -0.30   0.07
    10   1     0.13  -0.32   0.10     0.09  -0.23   0.01     0.14  -0.27   0.08
    11   6     0.02  -0.03  -0.00     0.00   0.03  -0.05     0.01   0.03  -0.00
    12   6     0.03  -0.04  -0.03    -0.01   0.04  -0.05     0.02   0.02  -0.02
    13   6     0.03  -0.02   0.03    -0.08   0.02   0.03     0.00   0.04  -0.09
    14   1     0.40   0.28   0.14     0.06   0.34  -0.37     0.04   0.22  -0.13
    15   1    -0.28   0.00   0.25    -0.08  -0.03   0.17    -0.11   0.03   0.06
    16   1     0.12   0.04  -0.13    -0.16   0.15   0.10    -0.26  -0.03   0.24
    17   1    -0.08   0.03  -0.01     0.28  -0.21  -0.07    -0.15   0.20   0.12
    18   1     0.04  -0.05   0.03     0.05   0.02  -0.16    -0.05  -0.04   0.22
    19   1    -0.05  -0.02   0.01    -0.11   0.17  -0.07     0.30  -0.29   0.10
    20   1    -0.06   0.04   0.07     0.12   0.08  -0.11    -0.00  -0.04  -0.01
    21   1    -0.11  -0.01   0.05     0.05  -0.02   0.02     0.06   0.04  -0.08
    22   1     0.09   0.11  -0.10     0.02  -0.00   0.06    -0.03  -0.03  -0.01
    23   1    -0.08   0.10  -0.03    -0.13  -0.01  -0.15    -0.08  -0.01  -0.09
    24   1     0.13  -0.00   0.19    -0.09  -0.05  -0.03    -0.03  -0.05   0.03
    25   1    -0.13   0.05  -0.04     0.00  -0.02   0.07     0.01  -0.01   0.07
    26   1     0.10  -0.08  -0.00     0.34  -0.22  -0.05     0.10  -0.19  -0.25
    27   1    -0.29   0.23   0.15    -0.01   0.02  -0.11     0.10  -0.11   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1193.6032              1221.8600              1239.7966
 Red. masses --      2.4492                 2.0342                 1.9144
 Frc consts  --      2.0559                 1.7894                 1.7337
 IR Inten    --      2.0483                 0.2558                 2.0314
 RamAct Fr= 1--      3.1354                 1.2943                 3.3225
  Dep-P Fr= 1--      0.7232                 0.7171                 0.7440
  Dep-U Fr= 1--      0.8393                 0.8352                 0.8532
 Alpha2 Fr= 1--      0.0014                 0.0007                 0.0003
 Beta2  Fr= 1--      0.4386                 0.1802                 0.4725
 AlphaG Fr= 1--     -0.0031                 0.0027                -0.0018
 Gamma2 Fr= 1--     -1.7750                 0.1588                 1.8574
 Delta2 Fr= 1--     -1.2297                -0.1665                 1.1551
 Raman1 Fr= 1--      12.541                  5.177                 13.290
 ROA1   Fr= 1--    -209.750                  9.919                215.273
 CID1   Fr= 1--     -16.725                  1.916                 16.198
 Raman2 Fr= 1--       5.263                  2.162                  5.670
 ROA2   Fr= 1--     -32.762                  5.144                 35.336
 CID2   Fr= 1--      -6.225                  2.379                  6.233
 Raman3 Fr= 1--      10.527                  4.324                 11.339
 ROA3   Fr= 1--    -209.750                  9.919                215.273
 CID3   Fr= 1--     -19.926                  2.294                 18.985
 RC180  Fr= 1--       0.679                  0.670                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.03    -0.06   0.19  -0.03    -0.03   0.08  -0.01
     2   6    -0.05  -0.06  -0.06    -0.03  -0.02  -0.03    -0.06   0.00  -0.03
     3   6    -0.02   0.02  -0.05     0.04  -0.02   0.03     0.00  -0.01   0.01
     4   8     0.00  -0.01   0.00    -0.01  -0.00  -0.01     0.00  -0.02  -0.01
     5   6    -0.08  -0.11   0.20    -0.07  -0.04  -0.14     0.07   0.18   0.08
     6   6    -0.06   0.01  -0.09     0.00   0.01  -0.03     0.01  -0.08   0.01
     7   6     0.05   0.06   0.10    -0.01  -0.01   0.04     0.06   0.02   0.02
     8   6    -0.03  -0.01  -0.00     0.02  -0.07   0.02     0.00  -0.04   0.00
     9   1     0.22  -0.05  -0.10     0.12  -0.11  -0.02     0.25  -0.38   0.05
    10   1    -0.23   0.32   0.10     0.01  -0.14   0.12    -0.09   0.06   0.09
    11   6     0.05   0.02  -0.06     0.03   0.01   0.05    -0.03  -0.06  -0.04
    12   6     0.04   0.06  -0.08     0.03   0.02   0.04    -0.03  -0.08  -0.02
    13   6     0.04  -0.05   0.00    -0.03  -0.01   0.05    -0.01   0.01  -0.01
    14   1     0.10   0.02   0.06     0.40   0.04   0.32    -0.16  -0.14  -0.10
    15   1    -0.06   0.22  -0.14    -0.17   0.02   0.13    -0.32   0.11   0.20
    16   1     0.12  -0.26  -0.07     0.26  -0.08  -0.21     0.12  -0.15  -0.09
    17   1     0.03   0.02   0.04     0.25  -0.09   0.03     0.12  -0.04   0.02
    18   1    -0.09   0.09  -0.01    -0.02   0.03  -0.07    -0.02   0.03  -0.03
    19   1     0.02   0.05  -0.02     0.15   0.04  -0.01     0.09   0.01  -0.00
    20   1     0.04   0.06  -0.04    -0.14  -0.17   0.11     0.04   0.20  -0.02
    21   1     0.01   0.03  -0.02     0.02   0.09  -0.14    -0.13  -0.12   0.21
    22   1     0.08   0.08  -0.09    -0.07  -0.05  -0.11     0.12   0.11   0.08
    23   1    -0.28   0.01  -0.30     0.01  -0.07  -0.02     0.06   0.16   0.15
    24   1    -0.07  -0.14   0.12    -0.03  -0.04   0.01     0.16   0.12   0.05
    25   1    -0.01  -0.04   0.23     0.10  -0.04   0.12    -0.18   0.08  -0.23
    26   1    -0.25   0.25   0.18     0.02   0.04   0.10    -0.13   0.07  -0.00
    27   1     0.01  -0.01  -0.02     0.30  -0.20  -0.18     0.17  -0.13  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.7210              1267.9215              1277.1305
 Red. masses --      2.2572                 1.5165                 1.4907
 Frc consts  --      2.0737                 1.4365                 1.4326
 IR Inten    --      3.3796                 0.8630                 1.0654
 RamAct Fr= 1--      3.5158                 4.1446                 3.8710
  Dep-P Fr= 1--      0.7400                 0.7308                 0.7260
  Dep-U Fr= 1--      0.8506                 0.8445                 0.8413
 Alpha2 Fr= 1--      0.0006                 0.0014                 0.0016
 Beta2  Fr= 1--      0.4984                 0.5833                 0.5428
 AlphaG Fr= 1--     -0.0015                 0.0021                -0.0108
 Gamma2 Fr= 1--     -0.1461                 1.3351                -0.1427
 Delta2 Fr= 1--     -0.1313                 0.4183                 0.4602
 Raman1 Fr= 1--      14.063                 16.578                 15.484
 ROA1   Fr= 1--     -18.230                141.559                  1.029
 CID1   Fr= 1--      -1.296                  8.539                  0.066
 Raman2 Fr= 1--       5.981                  7.000                  6.513
 ROA2   Fr= 1--      -2.457                 28.697                 -7.106
 CID2   Fr= 1--      -0.411                  4.100                 -1.091
 Raman3 Fr= 1--      11.962                 14.000                 13.026
 ROA3   Fr= 1--     -18.230                141.559                  1.029
 CID3   Fr= 1--      -1.524                 10.111                  0.079
 RC180  Fr= 1--       0.701                  0.689                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.09     0.04  -0.10   0.02    -0.03   0.06   0.06
     2   6     0.00  -0.04  -0.05     0.00  -0.07  -0.00     0.05  -0.05   0.02
     3   6    -0.07   0.02  -0.02    -0.00   0.00   0.00     0.02  -0.00  -0.01
     4   8     0.01  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.01
     5   6     0.21  -0.10   0.03    -0.04  -0.00  -0.04    -0.02   0.05   0.08
     6   6     0.04   0.11  -0.01     0.03  -0.05   0.04     0.02   0.01  -0.10
     7   6    -0.04  -0.02   0.03     0.03   0.05  -0.02    -0.02  -0.02  -0.01
     8   6     0.01  -0.01  -0.04    -0.01   0.03  -0.02     0.01  -0.02  -0.03
     9   1     0.02   0.15  -0.11     0.05   0.06  -0.05    -0.24   0.47  -0.11
    10   1    -0.06   0.07   0.06    -0.27   0.55  -0.11     0.01   0.03  -0.03
    11   6    -0.08   0.03  -0.02     0.01   0.01   0.02     0.01  -0.03  -0.03
    12   6    -0.08   0.03   0.01     0.01  -0.00   0.01     0.01  -0.02  -0.02
    13   6    -0.03  -0.06  -0.02    -0.08   0.08   0.01    -0.06   0.03   0.03
    14   1    -0.00  -0.06   0.10     0.10   0.15  -0.08     0.01  -0.39   0.26
    15   1    -0.23  -0.02   0.22    -0.31   0.10   0.23     0.23  -0.08  -0.15
    16   1     0.37  -0.03  -0.31     0.15  -0.02  -0.15    -0.15   0.03   0.12
    17   1    -0.00   0.07   0.06    -0.14   0.06  -0.01     0.03   0.05   0.05
    18   1    -0.03  -0.01   0.08    -0.02   0.01   0.04    -0.02  -0.01   0.06
    19   1     0.12  -0.08   0.03    -0.04  -0.05   0.01     0.11  -0.05   0.01
    20   1     0.20   0.02  -0.19    -0.03  -0.04   0.03     0.00   0.10   0.01
    21   1     0.16  -0.10   0.07     0.00   0.04  -0.07    -0.08  -0.03   0.06
    22   1    -0.08  -0.10   0.23    -0.02  -0.01  -0.05     0.07   0.07  -0.01
    23   1     0.09  -0.10   0.04     0.01  -0.00   0.01    -0.05   0.07  -0.01
    24   1    -0.12   0.07  -0.25     0.01  -0.01   0.04     0.04   0.00   0.05
    25   1     0.12  -0.03  -0.11     0.01  -0.01   0.03    -0.08   0.03  -0.03
    26   1     0.23  -0.09   0.03     0.30  -0.27  -0.16     0.26  -0.20  -0.07
    27   1    -0.21   0.15  -0.10     0.21  -0.18  -0.04     0.27  -0.20  -0.15
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1294.5379              1322.4258              1346.6182
 Red. masses --      1.8556                 1.6719                 1.5730
 Frc consts  --      1.8322                 1.7227                 1.6806
 IR Inten    --      3.2010                 5.2231                 2.3917
 RamAct Fr= 1--      5.0282                 1.1556                 2.5813
  Dep-P Fr= 1--      0.6923                 0.7399                 0.7107
  Dep-U Fr= 1--      0.8182                 0.8505                 0.8309
 Alpha2 Fr= 1--      0.0051                 0.0002                 0.0018
 Beta2  Fr= 1--      0.6857                 0.1638                 0.3574
 AlphaG Fr= 1--     -0.0179                 0.0027                 0.0058
 Gamma2 Fr= 1--      3.8891                -0.9842                 0.0115
 Delta2 Fr= 1--      1.8738                -0.8786                 0.1793
 Raman1 Fr= 1--      20.113                  4.622                 10.325
 ROA1   Fr= 1--     433.310               -122.597                  6.845
 CID1   Fr= 1--      21.544                -26.523                  0.663
 Raman2 Fr= 1--       8.228                  1.966                  4.289
 ROA2   Fr= 1--      78.347                -16.592                 -1.157
 CID2   Fr= 1--       9.522                 -8.441                 -0.270
 Raman3 Fr= 1--      16.456                  3.931                  8.579
 ROA3   Fr= 1--     433.310               -122.597                  6.845
 CID3   Fr= 1--      26.331                -31.185                  0.798
 RC180  Fr= 1--       0.636                  0.701                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.09   0.08    -0.03  -0.02   0.03    -0.04   0.03   0.02
     2   6    -0.02  -0.06  -0.00     0.01   0.05  -0.04     0.04  -0.04   0.01
     3   6    -0.04  -0.00  -0.00     0.04  -0.00  -0.00    -0.02  -0.00   0.00
     4   8     0.00  -0.01  -0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.04   0.01  -0.03    -0.09   0.02   0.02     0.09   0.03  -0.01
     6   6     0.05  -0.02   0.12     0.12  -0.00   0.02    -0.08  -0.14   0.01
     7   6    -0.01   0.01  -0.06    -0.12   0.00   0.10    -0.05   0.05   0.05
     8   6    -0.04  -0.04  -0.03     0.01   0.01  -0.02     0.01  -0.00  -0.01
     9   1    -0.12   0.49  -0.16     0.06  -0.17   0.02    -0.08   0.20  -0.05
    10   1     0.06  -0.23   0.12     0.06  -0.09   0.02    -0.03   0.13  -0.06
    11   6     0.02   0.00   0.01     0.03  -0.01  -0.01    -0.03  -0.00   0.01
    12   6     0.02  -0.01   0.00     0.03  -0.01  -0.01    -0.03  -0.01  -0.01
    13   6    -0.02  -0.05  -0.06    -0.03   0.00  -0.02     0.02   0.01  -0.01
    14   1    -0.32   0.12  -0.38    -0.25  -0.06  -0.30     0.38   0.54  -0.18
    15   1    -0.10  -0.03   0.13     0.33  -0.05  -0.26     0.38   0.04  -0.37
    16   1    -0.02   0.10  -0.02     0.52  -0.01  -0.44     0.08  -0.01  -0.09
    17   1     0.04   0.11   0.13    -0.02   0.02   0.00     0.02   0.02   0.02
    18   1    -0.17   0.14   0.03     0.00  -0.02   0.05     0.03  -0.04   0.03
    19   1     0.12   0.08  -0.04     0.01  -0.06   0.02     0.04  -0.03   0.01
    20   1    -0.06  -0.04   0.04    -0.06   0.02   0.05     0.06   0.03  -0.04
    21   1    -0.02   0.03  -0.01    -0.09   0.02   0.01     0.09  -0.04  -0.01
    22   1    -0.02  -0.02  -0.04     0.02   0.01  -0.05     0.03   0.05   0.06
    23   1    -0.00   0.02   0.01    -0.05   0.05  -0.02     0.07   0.01   0.07
    24   1     0.02  -0.02   0.04     0.01  -0.04   0.05     0.05   0.08  -0.00
    25   1    -0.03   0.00   0.02    -0.08   0.02   0.04     0.06  -0.04  -0.03
    26   1    -0.21   0.23   0.11     0.13  -0.12  -0.08    -0.17   0.06  -0.02
    27   1     0.08  -0.09  -0.16    -0.09   0.07  -0.03     0.12  -0.09  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1361.0100              1398.6106              1418.2562
 Red. masses --      2.2085                 1.2098                 1.2782
 Frc consts  --      2.4103                 1.3943                 1.5148
 IR Inten    --      2.0251                 5.0837                 4.6160
 RamAct Fr= 1--      3.0273                 0.1481                 0.5663
  Dep-P Fr= 1--      0.6132                 0.5032                 0.0650
  Dep-U Fr= 1--      0.7602                 0.6695                 0.1221
 Alpha2 Fr= 1--      0.0076                 0.0007                 0.0108
 Beta2  Fr= 1--      0.3836                 0.0165                 0.0115
 AlphaG Fr= 1--     -0.0152                -0.0091                -0.0044
 Gamma2 Fr= 1--      0.2802                -0.0344                -0.0331
 Delta2 Fr= 1--     -0.0826                -0.0113                -0.0197
 Raman1 Fr= 1--      12.109                  0.592                  2.265
 ROA1   Fr= 1--      24.255                 -3.665                 -3.803
 CID1   Fr= 1--       2.003                 -6.186                 -1.679
 Raman2 Fr= 1--       4.603                  0.198                  0.138
 ROA2   Fr= 1--       7.385                 -0.735                 -0.636
 CID2   Fr= 1--       1.604                 -3.706                 -4.598
 Raman3 Fr= 1--       9.206                  0.397                  0.277
 ROA3   Fr= 1--      24.255                 -3.665                 -3.803
 CID3   Fr= 1--       2.635                 -9.239                -13.750
 RC180  Fr= 1--       0.520                  0.339                 -0.756
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22  -0.07  -0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
     2   6    -0.07   0.10  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.11   0.02  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.01
     4   8     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
     5   6     0.05  -0.01   0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6    -0.04  -0.01  -0.04    -0.01   0.00  -0.01    -0.00   0.00   0.01
     7   6    -0.03  -0.01   0.03     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.05   0.01   0.00    -0.00   0.00   0.00    -0.13   0.08  -0.01
     9   1     0.17  -0.25   0.06     0.02  -0.01   0.00    -0.02   0.01  -0.00
    10   1     0.21  -0.52   0.10     0.01  -0.03  -0.01    -0.01  -0.00   0.02
    11   6    -0.03  -0.01   0.01     0.06   0.04  -0.07     0.00   0.00  -0.00
    12   6    -0.02   0.00  -0.01    -0.06   0.02  -0.07     0.00   0.00   0.00
    13   6    -0.09   0.06   0.03    -0.00   0.00   0.01    -0.00   0.00  -0.00
    14   1     0.22   0.03   0.16     0.02  -0.00   0.02    -0.01   0.01  -0.01
    15   1     0.15  -0.03  -0.13    -0.01   0.02  -0.04    -0.01   0.00   0.01
    16   1     0.05  -0.03  -0.04    -0.00   0.02   0.02    -0.01   0.00   0.00
    17   1    -0.05   0.05   0.04    -0.01   0.00   0.00     0.50  -0.14  -0.12
    18   1    -0.10   0.11  -0.04    -0.00   0.01  -0.00     0.31  -0.48  -0.09
    19   1    -0.03   0.11  -0.04    -0.01   0.01  -0.00     0.50  -0.20   0.25
    20   1     0.11   0.05  -0.07    -0.32  -0.17   0.14    -0.01  -0.01   0.00
    21   1     0.10  -0.01  -0.09    -0.23  -0.05   0.38    -0.01  -0.00   0.02
    22   1     0.04   0.09  -0.03    -0.13  -0.33   0.23    -0.01  -0.02   0.00
    23   1     0.04  -0.02   0.02     0.31  -0.01   0.17    -0.01  -0.00  -0.01
    24   1     0.03   0.04   0.02     0.16   0.08   0.35    -0.01  -0.01  -0.01
    25   1     0.06  -0.03  -0.01     0.23  -0.23   0.24    -0.01   0.01  -0.01
    26   1     0.25  -0.12  -0.01     0.01  -0.04  -0.03    -0.01   0.00  -0.00
    27   1     0.30  -0.27  -0.06     0.01   0.01  -0.04    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.2132              1483.1445              1489.0081
 Red. masses --      1.2232                 1.0503                 1.0552
 Frc consts  --      1.4578                 1.3612                 1.3784
 IR Inten    --     11.0903                 1.5530                 1.9932
 RamAct Fr= 1--      0.3834                 2.3178                 3.7780
  Dep-P Fr= 1--      0.5625                 0.7418                 0.7400
  Dep-U Fr= 1--      0.7200                 0.8517                 0.8506
 Alpha2 Fr= 1--      0.0014                 0.0003                 0.0006
 Beta2  Fr= 1--      0.0460                 0.3290                 0.5356
 AlphaG Fr= 1--      0.0005                -0.0073                -0.0050
 Gamma2 Fr= 1--     -0.0109                -1.7214                 1.5045
 Delta2 Fr= 1--     -0.0303                -0.8315                 0.6040
 Raman1 Fr= 1--       1.534                  9.271                 15.112
 ROA1   Fr= 1--      -2.016               -191.865                163.760
 CID1   Fr= 1--      -1.315                -20.695                 10.837
 Raman2 Fr= 1--       0.552                  3.948                  6.427
 ROA2   Fr= 1--      -0.020                -34.663                 31.276
 CID2   Fr= 1--      -0.036                 -8.779                  4.867
 Raman3 Fr= 1--       1.104                  7.897                 12.854
 ROA3   Fr= 1--      -2.016               -191.865                163.760
 CID3   Fr= 1--      -1.826                -24.297                 12.740
 RC180  Fr= 1--       0.440                  0.703                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.01
     2   6     0.00  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.00   0.02
     3   6     0.03   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   8    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.03  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6     0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.01
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.03
     9   1    -0.02   0.01  -0.00    -0.11  -0.04   0.02     0.21   0.08  -0.04
    10   1    -0.01   0.03   0.01    -0.02   0.03   0.11     0.03  -0.05  -0.21
    11   6    -0.05  -0.04   0.06     0.02   0.01   0.03     0.01  -0.01   0.00
    12   6    -0.06   0.02  -0.07    -0.02  -0.03   0.02    -0.01   0.01   0.02
    13   6     0.00  -0.01  -0.01    -0.01  -0.00  -0.02    -0.00  -0.00  -0.01
    14   1    -0.09  -0.07  -0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    15   1    -0.06   0.02   0.01     0.02  -0.01   0.00     0.14  -0.14   0.18
    16   1     0.01   0.04   0.01    -0.01  -0.01   0.00    -0.06  -0.25  -0.05
    17   1     0.03  -0.01  -0.01    -0.01   0.01   0.01     0.30  -0.03  -0.01
    18   1     0.01  -0.02   0.01     0.01  -0.00  -0.01    -0.11  -0.04   0.43
    19   1     0.02  -0.02   0.02     0.01   0.01  -0.00    -0.31  -0.21   0.02
    20   1     0.28   0.15  -0.12     0.27  -0.12  -0.18     0.03   0.20   0.03
    21   1     0.21   0.04  -0.33    -0.28   0.08   0.11    -0.18   0.11  -0.12
    22   1     0.13   0.31  -0.20    -0.25  -0.18  -0.37    -0.06  -0.11   0.03
    23   1     0.32  -0.01   0.18    -0.28   0.24  -0.04    -0.02  -0.26  -0.14
    24   1     0.18   0.09   0.39     0.27   0.38  -0.17     0.05   0.02   0.16
    25   1     0.25  -0.25   0.27     0.27  -0.15  -0.01     0.17   0.01  -0.25
    26   1     0.01   0.03   0.03     0.09   0.08   0.09     0.02   0.05   0.04
    27   1    -0.05   0.02   0.04    -0.01  -0.07   0.13    -0.00  -0.03   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1490.0830              1495.3768              1501.0864
 Red. masses --      1.0540                 1.0526                 1.0710
 Frc consts  --      1.3789                 1.3868                 1.4218
 IR Inten    --      3.7831                 5.8276                 7.9858
 RamAct Fr= 1--      8.2777                 4.0392                 4.0450
  Dep-P Fr= 1--      0.7498                 0.7268                 0.7183
  Dep-U Fr= 1--      0.8570                 0.8418                 0.8361
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0022
 Beta2  Fr= 1--      1.1823                 0.5667                 0.5637
 AlphaG Fr= 1--     -0.0012                 0.0042                -0.0031
 Gamma2 Fr= 1--     -2.4766                 2.2673                -1.1949
 Delta2 Fr= 1--     -0.6157                 2.0749                -1.0459
 Raman1 Fr= 1--      33.111                 16.157                 16.180
 ROA1   Fr= 1--    -257.454                284.056               -148.177
 CID1   Fr= 1--      -7.776                 17.581                 -9.158
 Raman2 Fr= 1--      14.188                  6.801                  6.764
 ROA2   Fr= 1--     -54.512                 37.815                -20.310
 CID2   Fr= 1--      -3.842                  5.561                 -3.003
 Raman3 Fr= 1--      28.376                 13.601                 13.528
 ROA3   Fr= 1--    -257.454                284.056               -148.177
 CID3   Fr= 1--      -9.073                 20.885                -10.954
 RC180  Fr= 1--       0.714                  0.684                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.02    -0.01  -0.02  -0.02     0.02   0.02  -0.00
     2   6    -0.00  -0.00   0.00     0.02   0.00  -0.02     0.03  -0.00  -0.03
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00  -0.00
     4   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00  -0.00     0.01  -0.02   0.00
     8   6     0.00   0.01  -0.03    -0.02  -0.03  -0.02     0.01   0.02  -0.00
     9   1     0.01  -0.02   0.01    -0.24  -0.13   0.06    -0.39  -0.13   0.07
    10   1    -0.00  -0.01   0.00    -0.04   0.07   0.24    -0.05   0.07   0.40
    11   6    -0.02   0.02   0.00     0.01  -0.01  -0.00     0.01  -0.01   0.00
    12   6     0.01  -0.02  -0.01    -0.00   0.01   0.00     0.01   0.01  -0.01
    13   6     0.00   0.00   0.02    -0.00   0.00  -0.00    -0.02  -0.00  -0.03
    14   1     0.01  -0.01   0.01     0.01   0.01   0.00     0.03   0.02  -0.01
    15   1    -0.11   0.10  -0.12    -0.03   0.03  -0.02    -0.09   0.10  -0.13
    16   1     0.03   0.17   0.04     0.01   0.04   0.01     0.04   0.18   0.04
    17   1     0.35   0.06   0.10     0.14   0.38   0.44     0.05  -0.19  -0.21
    18   1    -0.09  -0.10   0.49     0.13  -0.31   0.16    -0.11   0.14   0.10
    19   1    -0.33  -0.11  -0.03     0.01   0.44  -0.23    -0.14  -0.29   0.11
    20   1     0.01  -0.27  -0.08    -0.04   0.16   0.06     0.03   0.19   0.03
    21   1     0.18  -0.13   0.17    -0.07   0.07  -0.11    -0.19   0.11  -0.10
    22   1     0.03   0.12  -0.11     0.00  -0.05   0.10    -0.07  -0.13   0.04
    23   1     0.00   0.26   0.13     0.01  -0.11  -0.04     0.14  -0.06   0.05
    24   1    -0.04   0.01  -0.17    -0.01  -0.03   0.06    -0.14  -0.17   0.04
    25   1    -0.15  -0.02   0.24     0.04   0.02  -0.08    -0.16   0.07   0.04
    26   1    -0.07  -0.06  -0.06     0.04   0.02   0.03     0.14   0.14   0.15
    27   1     0.01   0.05  -0.11    -0.01  -0.02   0.07     0.02  -0.13   0.20
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.1899              1509.7741              1515.6307
 Red. masses --      1.0642                 1.0733                 1.0705
 Frc consts  --      1.4149                 1.4414                 1.4489
 IR Inten    --      0.9166                10.5588                 9.8984
 RamAct Fr= 1--      7.9924                 3.3516                 2.7179
  Dep-P Fr= 1--      0.7460                 0.7247                 0.7388
  Dep-U Fr= 1--      0.8545                 0.8404                 0.8498
 Alpha2 Fr= 1--      0.0005                 0.0015                 0.0005
 Beta2  Fr= 1--      1.1383                 0.4694                 0.3849
 AlphaG Fr= 1--      0.0054                 0.0063                -0.0005
 Gamma2 Fr= 1--      1.5160                -0.7706                -1.0017
 Delta2 Fr= 1--      0.6001                -0.8768                -0.3593
 Raman1 Fr= 1--      31.970                 13.406                 10.872
 ROA1   Fr= 1--     164.736               -102.033               -107.666
 CID1   Fr= 1--       5.153                 -7.611                 -9.903
 Raman2 Fr= 1--      13.659                  5.633                  4.619
 ROA2   Fr= 1--      31.582                -11.479                -21.167
 CID2   Fr= 1--       2.312                 -2.038                 -4.583
 Raman3 Fr= 1--      27.319                 11.267                  9.238
 ROA3   Fr= 1--     164.736               -102.033               -107.666
 CID3   Fr= 1--       6.030                 -9.056                -11.654
 RC180  Fr= 1--       0.709                  0.681                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.00  -0.00
     2   6     0.01   0.00  -0.02    -0.02  -0.00   0.02    -0.01  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01   0.00
     5   6    -0.03  -0.02  -0.01     0.02  -0.02  -0.00     0.01  -0.02  -0.01
     6   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.04   0.01    -0.00   0.01  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.18  -0.07   0.04     0.22   0.08  -0.04     0.19   0.07  -0.04
    10   1    -0.02   0.03   0.20     0.03  -0.05  -0.22     0.02  -0.03  -0.20
    11   6    -0.00  -0.01  -0.03     0.02  -0.03   0.01     0.00  -0.01  -0.02
    12   6    -0.01  -0.02   0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.01
    13   6     0.01  -0.00   0.02     0.01   0.00   0.03    -0.02  -0.00  -0.05
    14   1    -0.01  -0.00   0.00     0.01   0.00   0.01     0.01   0.01   0.00
    15   1    -0.06   0.04  -0.04    -0.19   0.18  -0.23     0.05  -0.05   0.06
    16   1     0.01   0.09   0.02     0.08   0.33   0.07    -0.03  -0.10  -0.02
    17   1     0.02  -0.09  -0.10    -0.01   0.01   0.02     0.02   0.03   0.04
    18   1    -0.05   0.07   0.04     0.01  -0.01  -0.02     0.02  -0.04   0.01
    19   1    -0.07  -0.13   0.05     0.02   0.03  -0.01     0.02   0.04  -0.02
    20   1    -0.26   0.16   0.19     0.11   0.38   0.03    -0.17   0.21   0.15
    21   1     0.21  -0.03  -0.15    -0.33   0.22  -0.25     0.02   0.04  -0.15
    22   1     0.21   0.13   0.35    -0.12  -0.22   0.03     0.09  -0.01   0.26
    23   1    -0.29   0.08  -0.12    -0.01   0.11   0.05    -0.03   0.38   0.17
    24   1     0.25   0.33  -0.10    -0.02   0.02  -0.10     0.01   0.09  -0.24
    25   1     0.32  -0.12  -0.12    -0.05  -0.02   0.09    -0.11  -0.07   0.31
    26   1    -0.10  -0.08  -0.08    -0.19  -0.14  -0.17     0.26   0.22   0.24
    27   1     0.01   0.07  -0.14     0.01   0.13  -0.25    -0.03  -0.18   0.37
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1533.0671              1811.5935              3034.1187
 Red. masses --      1.0897                12.3153                 1.0356
 Frc consts  --      1.5090                23.8131                 5.6172
 IR Inten    --      6.7608               201.4254                26.9812
 RamAct Fr= 1--      5.8115                13.5492               130.1950
  Dep-P Fr= 1--      0.6084                 0.5914                 0.0175
  Dep-U Fr= 1--      0.7565                 0.7433                 0.0344
 Alpha2 Fr= 1--      0.0152                 0.0400                 2.7772
 Beta2  Fr= 1--      0.7327                 1.6785                 0.7456
 AlphaG Fr= 1--      0.0351                 0.0182                -0.1903
 Gamma2 Fr= 1--      0.8025                -0.5375                -0.0635
 Delta2 Fr= 1--      0.0217                 1.8120                 0.0716
 Raman1 Fr= 1--      23.246                 54.197                520.780
 ROA1   Fr= 1--      77.732                  6.382                 -3.804
 CID1   Fr= 1--       3.344                  0.118                 -0.007
 Raman2 Fr= 1--       8.793                 20.142                  8.947
 ROA2   Fr= 1--      19.086                -27.397                 -2.096
 CID2   Fr= 1--       2.171                 -1.360                 -0.234
 Raman3 Fr= 1--      17.586                 40.283                 17.894
 ROA3   Fr= 1--      77.732                  6.382                 -3.804
 CID3   Fr= 1--       4.420                  0.158                 -0.213
 RC180  Fr= 1--       0.513                  0.487                 -0.931
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.00    -0.01  -0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.02  -0.01   0.02    -0.00  -0.02   0.01     0.01   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.05   0.71   0.38     0.00   0.00   0.00
     4   8    -0.00   0.00   0.00    -0.03  -0.46  -0.25     0.00  -0.00  -0.00
     5   6    -0.01   0.02   0.01    -0.01  -0.04  -0.02    -0.00  -0.00  -0.00
     6   6     0.01  -0.01  -0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
     7   6     0.01  -0.05   0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.04   0.02  -0.01
     9   1     0.20   0.08  -0.04     0.03   0.05  -0.01     0.01   0.02   0.05
    10   1     0.02  -0.03  -0.22    -0.02   0.03  -0.07    -0.07  -0.03  -0.01
    11   6    -0.01   0.01  -0.01     0.01   0.01  -0.01     0.00   0.00  -0.00
    12   6    -0.01   0.01   0.02     0.01   0.00   0.01    -0.00   0.00  -0.00
    13   6    -0.01   0.00  -0.04    -0.00  -0.02  -0.02     0.00   0.00   0.00
    14   1    -0.01  -0.02  -0.02     0.01  -0.03  -0.03    -0.00   0.00  -0.00
    15   1    -0.24   0.24  -0.31    -0.00   0.01  -0.02     0.01   0.02   0.01
    16   1     0.12   0.44   0.09    -0.00   0.01   0.01    -0.01   0.00  -0.01
    17   1     0.01   0.01   0.02     0.04   0.03   0.01    -0.08  -0.40   0.37
    18   1     0.01  -0.02  -0.00     0.07  -0.10  -0.01     0.51   0.36   0.17
    19   1     0.01   0.01  -0.01     0.03   0.04   0.02     0.08  -0.21  -0.45
    20   1    -0.05  -0.15  -0.01    -0.03   0.01   0.01     0.01  -0.00   0.02
    21   1     0.11  -0.09   0.11    -0.06   0.03   0.03    -0.01  -0.02  -0.01
    22   1     0.05   0.08  -0.01    -0.04  -0.09   0.04    -0.02   0.02   0.01
    23   1    -0.08  -0.24  -0.16    -0.04   0.03   0.01    -0.02  -0.01   0.03
    24   1     0.05   0.02   0.12    -0.05  -0.02  -0.10     0.05  -0.04  -0.02
    25   1     0.15   0.03  -0.26    -0.04   0.04   0.02     0.02   0.03   0.01
    26   1     0.20   0.16   0.18     0.01   0.03   0.03     0.01   0.03  -0.03
    27   1    -0.01  -0.15   0.28    -0.03  -0.02   0.01    -0.04  -0.04  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.8600              3038.9537              3048.8986
 Red. masses --      1.0371                 1.0381                 1.0611
 Frc consts  --      5.6277                 5.6486                 5.8113
 IR Inten    --     16.4192                30.2370                29.7630
 RamAct Fr= 1--      6.8075               285.3755                80.7338
  Dep-P Fr= 1--      0.6452                 0.0318                 0.2465
  Dep-U Fr= 1--      0.7844                 0.0617                 0.3955
 Alpha2 Fr= 1--      0.0128                 5.8855                 0.9662
 Beta2  Fr= 1--      0.8899                 2.9327                 5.3219
 AlphaG Fr= 1--     -0.0359                -0.5007                -0.5654
 Gamma2 Fr= 1--     -0.9841                 1.4945                 5.8300
 Delta2 Fr= 1--     -0.3419                 0.0565                -5.0250
 Raman1 Fr= 1--      27.230               1141.502                322.935
 ROA1   Fr= 1--    -105.411                145.278                398.876
 CID1   Fr= 1--      -3.871                  0.127                  1.235
 Raman2 Fr= 1--      10.679                 35.193                 63.863
 ROA2   Fr= 1--     -20.882                 35.416                180.119
 CID2   Fr= 1--      -1.955                  1.006                  2.820
 Raman3 Fr= 1--      21.358                 70.386                127.726
 ROA3   Fr= 1--    -105.411                145.278                398.876
 CID3   Fr= 1--      -4.935                  2.064                  3.123
 RC180  Fr= 1--       0.569                 -0.877                 -0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.05  -0.01   0.04
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.03   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.08  -0.16  -0.49
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.68   0.32   0.08
    11   6    -0.03  -0.01   0.02    -0.02  -0.01   0.02    -0.00   0.00  -0.00
    12   6     0.03  -0.01   0.01    -0.03   0.02  -0.02    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1    -0.01   0.01   0.01    -0.02   0.02   0.02    -0.03   0.03   0.03
    15   1    -0.01  -0.01  -0.01     0.01   0.02   0.01    -0.14  -0.28  -0.13
    16   1     0.02  -0.01   0.02    -0.02   0.01  -0.03     0.08  -0.03   0.10
    17   1    -0.01  -0.04   0.03     0.00   0.02  -0.01    -0.01  -0.05   0.04
    18   1     0.05   0.03   0.02    -0.02  -0.01  -0.01     0.04   0.03   0.01
    19   1     0.01  -0.02  -0.04    -0.00   0.01   0.02     0.01  -0.02  -0.04
    20   1    -0.20   0.07  -0.30    -0.16   0.05  -0.24     0.00  -0.00   0.00
    21   1     0.12   0.34   0.15     0.09   0.26   0.11     0.00   0.00   0.00
    22   1     0.45  -0.33  -0.14     0.34  -0.25  -0.11     0.01  -0.01  -0.00
    23   1     0.14   0.10  -0.19    -0.18  -0.13   0.26    -0.00  -0.00   0.00
    24   1    -0.33   0.30   0.13     0.43  -0.38  -0.16     0.02  -0.02  -0.01
    25   1    -0.12  -0.25  -0.09     0.15   0.32   0.11     0.01   0.01   0.01
    26   1    -0.01  -0.04   0.04    -0.02  -0.04   0.05     0.01   0.03  -0.03
    27   1     0.02   0.02   0.01     0.04   0.05   0.02    -0.03  -0.03  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.5550              3061.7970              3084.8753
 Red. masses --      1.0620                 1.0691                 1.0961
 Frc consts  --      5.8416                 5.9050                 6.1455
 IR Inten    --     27.6999                35.1386                13.8919
 RamAct Fr= 1--     94.9702               229.5573               132.1234
  Dep-P Fr= 1--      0.1524                 0.1026                 0.2946
  Dep-U Fr= 1--      0.2645                 0.1862                 0.4551
 Alpha2 Fr= 1--      1.4592                 3.9932                 1.3772
 Beta2  Fr= 1--      4.1863                 7.1233                10.0211
 AlphaG Fr= 1--      1.3919                -0.1563                 1.4333
 Gamma2 Fr= 1--     18.8702               -16.9600                19.7763
 Delta2 Fr= 1--      7.9966                -5.1567                 8.4757
 Raman1 Fr= 1--     379.881                918.229                528.493
 ROA1   Fr= 1--    2067.428              -1793.172               2169.753
 CID1   Fr= 1--       5.442                 -1.953                  4.106
 Raman2 Fr= 1--      50.236                 85.479                120.253
 ROA2   Fr= 1--     388.912               -365.786                406.826
 CID2   Fr= 1--       7.742                 -4.279                  3.383
 Raman3 Fr= 1--     100.471                170.958                240.506
 ROA3   Fr= 1--    2067.428              -1793.172               2169.753
 CID3   Fr= 1--      20.577                -10.489                  9.022
 RC180  Fr= 1--      -0.471                 -0.628                 -0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.03    -0.03  -0.03  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01    -0.01   0.01   0.01    -0.04   0.03   0.04
     7   6     0.00   0.02   0.00    -0.01  -0.06  -0.01     0.01   0.01   0.02
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.01   0.02   0.05    -0.05  -0.11  -0.34     0.06   0.15   0.49
    10   1    -0.02  -0.01  -0.00     0.16   0.08   0.02     0.32   0.15   0.02
    11   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.03  -0.02  -0.05    -0.01  -0.00  -0.01     0.01   0.01   0.01
    14   1     0.06  -0.06  -0.07     0.17  -0.16  -0.17     0.42  -0.40  -0.43
    15   1    -0.11  -0.22  -0.11     0.32   0.65   0.31    -0.05  -0.11  -0.05
    16   1     0.05  -0.01   0.06    -0.16   0.05  -0.19    -0.12   0.05  -0.14
    17   1    -0.01  -0.03   0.03    -0.00  -0.02   0.01    -0.00  -0.02   0.02
    18   1     0.03   0.02   0.01     0.02   0.01   0.01    -0.04  -0.03  -0.01
    19   1     0.01  -0.02  -0.03     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.02
    21   1    -0.01  -0.05  -0.02    -0.00  -0.00  -0.00     0.02   0.04   0.02
    22   1    -0.08   0.06   0.03    -0.02   0.02   0.01     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.01    -0.00  -0.00   0.01    -0.02  -0.02   0.04
    24   1    -0.01   0.01   0.00    -0.03   0.03   0.01    -0.01   0.01   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
    26   1    -0.12  -0.31   0.34    -0.03  -0.09   0.10     0.00   0.01  -0.01
    27   1     0.53   0.55   0.26     0.13   0.13   0.06    -0.09  -0.09  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.6215              3094.9777              3097.2986
 Red. masses --      1.0929                 1.1018                 1.1015
 Frc consts  --      6.1389                 6.2183                 6.2257
 IR Inten    --     40.2239                18.2200                12.1475
 RamAct Fr= 1--    174.8735                61.8399                53.4464
  Dep-P Fr= 1--      0.0822                 0.7171                 0.7288
  Dep-U Fr= 1--      0.1520                 0.8353                 0.8431
 Alpha2 Fr= 1--      3.1970                 0.0351                 0.0194
 Beta2  Fr= 1--      4.4297                 8.6089                 7.5103
 AlphaG Fr= 1--     -0.6575                -0.1265                -0.1472
 Gamma2 Fr= 1--    -32.4109                15.3756                15.4896
 Delta2 Fr= 1--    -16.2982                 9.6071                 4.3146
 Raman1 Fr= 1--     699.494                247.360                213.786
 ROA1   Fr= 1--   -3632.985               1783.489               1625.066
 CID1   Fr= 1--      -5.194                  7.210                  7.601
 Raman2 Fr= 1--      53.156                103.306                 90.124
 ROA2   Fr= 1--    -647.475                292.158                337.233
 CID2   Fr= 1--     -12.181                  2.828                  3.742
 Raman3 Fr= 1--     106.312                206.613                180.248
 ROA3   Fr= 1--   -3632.985               1783.489               1625.066
 CID3   Fr= 1--     -34.173                  8.632                  9.016
 RC180  Fr= 1--      -0.696                  0.671                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.04  -0.03  -0.04    -0.01  -0.01  -0.01     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.03  -0.03  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.02   0.01     0.00  -0.00   0.00     0.01   0.00   0.01
     8   6     0.01   0.01   0.00    -0.05  -0.07   0.01    -0.01  -0.02  -0.00
     9   1     0.05   0.14   0.46     0.01   0.03   0.09    -0.00  -0.00  -0.01
    10   1     0.40   0.18   0.03     0.09   0.04   0.01    -0.01  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.05   0.06  -0.01
    12   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.02
    13   6    -0.01  -0.01  -0.01     0.01   0.02  -0.01    -0.02  -0.04   0.02
    14   1    -0.36   0.34   0.36    -0.04   0.04   0.04     0.04  -0.04  -0.04
    15   1     0.09   0.17   0.08     0.01   0.01   0.01    -0.02  -0.03  -0.01
    16   1    -0.19   0.08  -0.23    -0.03   0.01  -0.04    -0.05   0.02  -0.06
    17   1    -0.01  -0.07   0.07     0.07   0.47  -0.44     0.01   0.09  -0.09
    18   1    -0.08  -0.05  -0.03     0.54   0.37   0.19     0.12   0.08   0.04
    19   1     0.01  -0.02  -0.04    -0.04   0.05   0.15    -0.01   0.02   0.05
    20   1     0.01  -0.00   0.02    -0.05   0.02  -0.08     0.25  -0.07   0.39
    21   1    -0.02  -0.04  -0.02     0.01   0.01   0.01    -0.12  -0.28  -0.13
    22   1    -0.00  -0.00   0.00    -0.07   0.05   0.02     0.43  -0.30  -0.14
    23   1    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.08  -0.07   0.11
    24   1    -0.04   0.04   0.01     0.00  -0.00  -0.00    -0.13   0.12   0.05
    25   1    -0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.15   0.05
    26   1    -0.00  -0.01   0.01    -0.04  -0.12   0.14     0.09   0.25  -0.29
    27   1     0.09   0.09   0.05    -0.06  -0.06  -0.03     0.18   0.18   0.10
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3101.2637              3102.0487              3104.8809
 Red. masses --      1.0998                 1.1009                 1.1006
 Frc consts  --      6.2323                 6.2419                 6.2513
 IR Inten    --     15.4840                19.1886                28.9548
 RamAct Fr= 1--     85.5548                55.0064                87.3615
  Dep-P Fr= 1--      0.7406                 0.7194                 0.6733
  Dep-U Fr= 1--      0.8510                 0.8368                 0.8048
 Alpha2 Fr= 1--      0.0136                 0.0290                 0.1186
 Beta2  Fr= 1--     12.1345                 7.6715                11.7178
 AlphaG Fr= 1--     -0.0449                -0.1862                -0.0687
 Gamma2 Fr= 1--    -14.3331               -15.7831               -32.5059
 Delta2 Fr= 1--    -15.6450                -7.9163                 0.1980
 Raman1 Fr= 1--     342.219                220.026                349.446
 ROA1   Fr= 1--   -1876.620              -1768.499              -3114.228
 CID1   Fr= 1--      -5.484                 -8.038                 -8.912
 Raman2 Fr= 1--     145.614                 92.059                140.614
 ROA2   Fr= 1--    -218.835               -315.463               -781.724
 CID2   Fr= 1--      -1.503                 -3.427                 -5.559
 Raman3 Fr= 1--     291.228                184.117                281.228
 ROA3   Fr= 1--   -1876.620              -1768.499              -3114.228
 CID3   Fr= 1--      -6.444                 -9.605                -11.074
 RC180  Fr= 1--       0.702                  0.674                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.02
     8   6     0.00   0.01   0.02     0.00  -0.01  -0.09    -0.00  -0.01   0.01
     9   1    -0.01  -0.02  -0.06     0.00  -0.00   0.00    -0.01  -0.02  -0.07
    10   1    -0.04  -0.02  -0.00    -0.01  -0.00  -0.00    -0.06  -0.02  -0.00
    11   6     0.01   0.01   0.02     0.01  -0.00   0.00     0.01  -0.06  -0.02
    12   6     0.03  -0.06  -0.05     0.01  -0.01  -0.01     0.02  -0.01  -0.02
    13   6     0.02   0.03  -0.01     0.00   0.00  -0.00    -0.02  -0.04   0.02
    14   1    -0.02   0.02   0.02    -0.01   0.01   0.01     0.00   0.00   0.00
    15   1    -0.02  -0.05  -0.02    -0.01  -0.02  -0.01    -0.04  -0.08  -0.04
    16   1    -0.04   0.02  -0.05    -0.03   0.01  -0.03    -0.14   0.06  -0.17
    17   1     0.01   0.03  -0.02    -0.06  -0.35   0.31     0.01   0.07  -0.06
    18   1    -0.09  -0.06  -0.03     0.18   0.13   0.04     0.03   0.02   0.01
    19   1     0.04  -0.08  -0.17    -0.15   0.35   0.72     0.01  -0.02  -0.05
    20   1    -0.09   0.03  -0.14    -0.04   0.01  -0.06    -0.03  -0.00  -0.05
    21   1    -0.05  -0.14  -0.06     0.00   0.01   0.00     0.18   0.48   0.20
    22   1    -0.02   0.02   0.01    -0.04   0.03   0.01    -0.30   0.20   0.09
    23   1    -0.17  -0.15   0.26    -0.04  -0.04   0.07    -0.14  -0.11   0.21
    24   1    -0.39   0.34   0.13    -0.09   0.08   0.03    -0.15   0.14   0.05
    25   1     0.25   0.48   0.16     0.05   0.10   0.04     0.04   0.07   0.02
    26   1    -0.08  -0.21   0.24    -0.01  -0.02   0.02     0.12   0.32  -0.38
    27   1    -0.14  -0.14  -0.08    -0.02  -0.01  -0.01     0.18   0.18   0.10
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3111.3452              3117.0360              3120.4785
 Red. masses --      1.1012                 1.1003                 1.0984
 Frc consts  --      6.2809                 6.2987                 6.3014
 IR Inten    --     38.7663                35.5906                19.9238
 RamAct Fr= 1--     45.7359                47.7380                97.2942
  Dep-P Fr= 1--      0.3732                 0.7386                 0.6540
  Dep-U Fr= 1--      0.5436                 0.8497                 0.7908
 Alpha2 Fr= 1--      0.3718                 0.0093                 0.1673
 Beta2  Fr= 1--      4.1434                 6.7602                12.8234
 AlphaG Fr= 1--     -0.2939                -0.0365                -0.1191
 Gamma2 Fr= 1--     14.6427                27.2547                 3.5725
 Delta2 Fr= 1--      0.7570                13.1874                 4.2812
 Raman1 Fr= 1--     182.943                190.952                389.177
 ROA1   Fr= 1--    1429.927               3038.448                479.953
 CID1   Fr= 1--       7.816                 15.912                  1.233
 Raman2 Fr= 1--      49.721                 81.122                153.881
 ROA2   Fr= 1--     345.370                548.614                 51.490
 CID2   Fr= 1--       6.946                  6.763                  0.335
 Raman3 Fr= 1--      99.442                162.244                307.762
 ROA3   Fr= 1--    1429.927               3038.448                479.953
 CID3   Fr= 1--      14.379                 18.728                  1.559
 RC180  Fr= 1--       0.087                  0.699                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.04  -0.00  -0.05    -0.01  -0.00  -0.01    -0.03   0.00  -0.04
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.02   0.06   0.19     0.00   0.01   0.04     0.01   0.04   0.12
    10   1     0.13   0.06   0.01     0.03   0.01   0.00     0.08   0.04   0.01
    11   6     0.01  -0.01   0.00    -0.05  -0.03  -0.06     0.01   0.00   0.01
    12   6    -0.03  -0.05   0.01     0.00  -0.00  -0.01     0.05   0.04  -0.03
    13   6    -0.01  -0.02   0.01     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1     0.02  -0.02  -0.02    -0.02   0.02   0.02     0.00  -0.00  -0.00
    15   1     0.10   0.21   0.09     0.03   0.06   0.02     0.07   0.16   0.07
    16   1     0.38  -0.16   0.46     0.11  -0.05   0.13     0.34  -0.15   0.41
    17   1     0.00   0.02  -0.02    -0.00  -0.02   0.02     0.00   0.00  -0.00
    18   1     0.03   0.02   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.00   0.00   0.01    -0.00   0.01   0.01    -0.00   0.00   0.01
    20   1    -0.05   0.02  -0.08     0.38  -0.13   0.58    -0.06   0.02  -0.09
    21   1     0.03   0.06   0.03     0.17   0.48   0.19    -0.03  -0.08  -0.03
    22   1    -0.06   0.05   0.02     0.03  -0.04  -0.03    -0.00   0.00   0.00
    23   1     0.19   0.14  -0.29    -0.04  -0.03   0.05    -0.34  -0.26   0.51
    24   1    -0.05   0.03   0.02    -0.04   0.03   0.01    -0.06   0.07   0.02
    25   1     0.20   0.42   0.16     0.02   0.04   0.02    -0.16  -0.34  -0.13
    26   1     0.05   0.15  -0.17    -0.08  -0.23   0.26     0.01   0.03  -0.04
    27   1     0.09   0.09   0.05    -0.09  -0.09  -0.05     0.02   0.02   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1156.156871542.294241871.71619
           X            0.99996  -0.00882   0.00167
           Y            0.00891   0.99756  -0.06919
           Z           -0.00106   0.06920   0.99760
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07492     0.05616     0.04628
 Rotational constants (GHZ):           1.56098     1.17017     0.96422
 Zero-point vibrational energy     632687.8 (Joules/Mol)
                                  151.21600 (Kcal/Mol)
 Warning -- explicit consideration of  16 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.56   264.55   276.93   290.50   304.01
          (Kelvin)            332.22   376.92   423.95   433.83   472.42
                              536.75   612.47   648.87   737.32   755.60
                              863.33   958.09  1042.86  1135.21  1196.03
                             1207.25  1218.89  1288.70  1294.34  1352.41
                             1372.70  1388.73  1394.71  1451.33  1465.85
                             1486.56  1499.62  1572.32  1621.13  1633.25
                             1695.23  1717.33  1757.98  1783.79  1796.63
                             1824.26  1837.51  1862.55  1902.68  1937.48
                             1958.19  2012.29  2040.55  2046.25  2133.91
                             2142.35  2143.90  2151.51  2159.73  2161.32
                             2172.23  2180.65  2205.74  2606.48  4365.42
                             4366.49  4372.38  4386.69  4396.26  4405.24
                             4438.45  4442.40  4452.98  4456.32  4462.03
                             4463.16  4467.23  4476.53  4484.72  4489.67
 
 Zero-point correction=                           0.240978 (Hartree/Particle)
 Thermal correction to Energy=                    0.251725
 Thermal correction to Enthalpy=                  0.252669
 Thermal correction to Gibbs Free Energy=         0.206044
 Sum of electronic and zero-point Energies=           -465.911457
 Sum of electronic and thermal Energies=              -465.900710
 Sum of electronic and thermal Enthalpies=            -465.899766
 Sum of electronic and thermal Free Energies=         -465.946392
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.960             43.409             98.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.591
 Vibrational            156.182             37.447             27.572
 Vibration     1          0.601              1.959              3.752
 Vibration     2          0.631              1.862              2.289
 Vibration     3          0.634              1.850              2.204
 Vibration     4          0.639              1.837              2.116
 Vibration     5          0.643              1.824              2.032
 Vibration     6          0.653              1.794              1.872
 Vibration     7          0.669              1.742              1.649
 Vibration     8          0.689              1.684              1.447
 Vibration     9          0.694              1.671              1.408
 Vibration    10          0.712              1.619              1.268
 Vibration    11          0.744              1.527              1.067
 Vibration    12          0.788              1.414              0.873
 Vibration    13          0.810              1.359              0.793
 Vibration    14          0.868              1.222              0.628
 Vibration    15          0.880              1.194              0.598
 Vibration    16          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.168493D-94        -94.773418       -218.223859
 Total V=0       0.117135D+17         16.068688         36.999522
 Vib (Bot)       0.349374-108       -108.456709       -249.730801
 Vib (Bot)    1  0.239572D+01          0.379437          0.873685
 Vib (Bot)    2  0.109088D+01          0.037776          0.086983
 Vib (Bot)    3  0.103889D+01          0.016570          0.038154
 Vib (Bot)    4  0.986818D+00         -0.005763         -0.013270
 Vib (Bot)    5  0.939482D+00         -0.027111         -0.062426
 Vib (Bot)    6  0.852655D+00         -0.069227         -0.159400
 Vib (Bot)    7  0.740708D+00         -0.130353         -0.300148
 Vib (Bot)    8  0.647342D+00         -0.188866         -0.434880
 Vib (Bot)    9  0.630166D+00         -0.200545         -0.461772
 Vib (Bot)   10  0.569620D+00         -0.244415         -0.562786
 Vib (Bot)   11  0.486998D+00         -0.312473         -0.719495
 Vib (Bot)   12  0.410684D+00         -0.386493         -0.889932
 Vib (Bot)   13  0.379939D+00         -0.420286         -0.967744
 Vib (Bot)   14  0.317150D+00         -0.498735         -1.148381
 Vib (Bot)   15  0.305900D+00         -0.514421         -1.184498
 Vib (Bot)   16  0.248834D+00         -0.604090         -1.390969
 Vib (V=0)       0.242883D+03          2.385397          5.492579
 Vib (V=0)    1  0.294734D+01          0.469431          1.080904
 Vib (V=0)    2  0.170001D+01          0.230451          0.530632
 Vib (V=0)    3  0.165295D+01          0.218260          0.502562
 Vib (V=0)    4  0.160626D+01          0.205816          0.473908
 Vib (V=0)    5  0.156425D+01          0.194306          0.447406
 Vib (V=0)    6  0.148844D+01          0.172732          0.397731
 Vib (V=0)    7  0.139367D+01          0.144160          0.331942
 Vib (V=0)    8  0.131796D+01          0.119901          0.276082
 Vib (V=0)    9  0.130443D+01          0.115421          0.265767
 Vib (V=0)   10  0.125794D+01          0.099658          0.229472
 Vib (V=0)   11  0.119797D+01          0.078447          0.180631
 Vib (V=0)   12  0.114704D+01          0.059579          0.137185
 Vib (V=0)   13  0.112798D+01          0.052300          0.120425
 Vib (V=0)   14  0.109210D+01          0.038263          0.088104
 Vib (V=0)   15  0.108615D+01          0.035891          0.082642
 Vib (V=0)   16  0.105850D+01          0.024689          0.056850
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.653970D+06          5.815558         13.390816
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000037599    0.000019168   -0.000005098
      2        6          -0.000002106    0.000008803   -0.000002381
      3        6          -0.000016150   -0.000039130    0.000016469
      4        8          -0.000004764    0.000001143   -0.000001256
      5        6           0.000011724    0.000019384   -0.000017198
      6        6           0.000002633   -0.000014174    0.000000313
      7        6          -0.000022461   -0.000025110    0.000014448
      8        6          -0.000006918    0.000008412   -0.000001871
      9        1           0.000016720    0.000003054   -0.000003343
     10        1           0.000003337    0.000002564   -0.000004853
     11        6          -0.000007239    0.000010104   -0.000002703
     12        6          -0.000001933   -0.000002322    0.000007317
     13        6          -0.000007911    0.000004980   -0.000010840
     14        1          -0.000003652   -0.000005885   -0.000005214
     15        1           0.000002695    0.000002058    0.000002364
     16        1           0.000003865    0.000000601   -0.000006832
     17        1           0.000000506   -0.000000629    0.000000907
     18        1          -0.000007328    0.000003835    0.000001678
     19        1          -0.000003484   -0.000001810   -0.000000522
     20        1          -0.000012374   -0.000001121    0.000004398
     21        1           0.000005471    0.000002947    0.000002104
     22        1          -0.000001534   -0.000001014    0.000001089
     23        1          -0.000001276   -0.000000580    0.000002169
     24        1           0.000007468    0.000001108    0.000001121
     25        1          -0.000002820   -0.000001290    0.000001659
     26        1           0.000010146    0.000001056    0.000010378
     27        1          -0.000000218    0.000003848   -0.000004305
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039130 RMS     0.000009953
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125925D+03  0.304251D+00 -0.523016D+00
      2   0.304251D+00  0.115787D+03  0.712509D+00
      3  -0.523016D+00  0.712509D+00  0.106492D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.161112D+01  0.819879D+01 -0.127175D+02
      2  -0.795336D+01 -0.137043D+00 -0.363954D+01
      3   0.164311D+02 -0.444709D+01 -0.220241D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.897718D+00 -0.190824D+02  0.722023D+00
      2   0.843558D+01  0.297262D+02 -0.245605D+02
      3  -0.753786D+01 -0.106438D+02  0.238385D+02
      4   0.829583D+01  0.107986D+02  0.288689D+01
      5   0.134524D+02  0.204328D+01 -0.133810D+02
      6   0.191667D+01 -0.980831D+01  0.150334D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.429898D+01  0.357930D+01  0.685015D+00  0.367094D+01 -0.797455D+00
      2   0.357930D+01 -0.413787D+00  0.113314D+01 -0.797455D+00 -0.437909D+01
      3   0.685015D+00  0.113314D+01  0.229263D+01  0.145367D+01  0.116668D+01
                 6             7             8             9            10 
      1   0.145367D+01  0.219775D+01  0.234216D+01  0.135238D+01 -0.464370D+01
      2   0.116668D+01  0.234216D+01  0.214402D+01 -0.379552D+01 -0.490924D+01
      3  -0.383936D+01  0.135238D+01 -0.379552D+01 -0.162557D+01 -0.865154D-01
                11            12            13            14            15 
      1  -0.490924D+01 -0.865154D-01 -0.393807D+01  0.389051D+00  0.388154D+00
      2  -0.784398D+00  0.578282D+00  0.389051D+00  0.235789D+01 -0.163454D+01
      3   0.578282D+00  0.706994D+00  0.388154D+00 -0.163454D+01  0.279694D+01
                16            17            18            19            20 
      1  -0.199142D+01 -0.357713D-01 -0.645237D+00 -0.845302D+00 -0.168800D+01
      2  -0.357713D-01 -0.333401D+01  0.272491D+01 -0.168800D+01  0.221546D+01
      3  -0.645237D+00  0.272491D+01  0.427209D+01 -0.945824D+00  0.528369D+00
                21            22            23            24            25 
      1  -0.945824D+00 -0.535164D+01  0.217902D+01  0.389588D+00 -0.276955D+01
      2   0.528369D+00  0.217902D+01  0.491072D+01  0.217282D+01  0.625259D+00
      3  -0.587659D+00  0.389588D+00  0.217282D+01  0.794564D+00 -0.103718D+01
                26            27            28            29            30 
      1   0.625259D+00 -0.103718D+01 -0.255626D+00 -0.225101D+01 -0.105457D+01
      2   0.260004D+01  0.184401D+01 -0.225101D+01 -0.365807D+00 -0.132357D+00
      3   0.184401D+01  0.105765D+01 -0.105457D+01 -0.132357D+00 -0.107494D+00
                31            32            33            34            35 
      1  -0.539248D+00 -0.600421D+00 -0.876192D-01 -0.530524D+00 -0.337190D+00
      2  -0.600421D+00 -0.121227D+02 -0.370650D+01 -0.337190D+00 -0.376630D+01
      3  -0.876192D-01 -0.370650D+01 -0.238356D+01  0.189570D+00 -0.394914D+01
                36            37            38            39            40 
      1   0.189570D+00 -0.322542D+01  0.817503D+00  0.534658D+00  0.248140D+01
      2  -0.394914D+01  0.817503D+00 -0.232437D+01 -0.264479D+01 -0.385967D+01
      3  -0.392719D+01  0.534658D+00 -0.264479D+01  0.255718D+01 -0.428547D+01
                41            42            43            44            45 
      1  -0.385967D+01 -0.428547D+01  0.109485D+01 -0.386323D+01  0.357508D+01
      2  -0.145505D+01 -0.104192D+01 -0.386323D+01 -0.192557D+01  0.172734D+00
      3  -0.104192D+01  0.103472D+01  0.357508D+01  0.172734D+00 -0.399684D+00
                46            47            48            49            50 
      1   0.146623D+01  0.549525D+00 -0.187682D+01  0.444165D+00  0.337835D+01
      2   0.549525D+00  0.220164D+01  0.416174D+01  0.337835D+01  0.620103D+00
      3  -0.187682D+01  0.416174D+01 -0.568494D+00  0.497229D+01 -0.398168D-01
                51            52            53            54            55 
      1   0.497229D+01 -0.142321D+01  0.477833D+01  0.131542D+00  0.192765D+00
      2  -0.398168D-01  0.477833D+01  0.832852D+00 -0.219517D+01  0.177946D+00
      3  -0.104470D+01  0.131542D+00 -0.219517D+01 -0.323961D+00  0.112315D+01
                56            57            58            59            60 
      1   0.177946D+00  0.112315D+01  0.102179D+01 -0.230220D+01 -0.278709D+01
      2  -0.228831D+01 -0.325253D+01 -0.230220D+01 -0.360957D+01 -0.114730D+01
      3  -0.325253D+01  0.179568D+01 -0.278709D+01 -0.114730D+01  0.235262D+00
                61            62            63            64            65 
      1   0.959575D+00 -0.346740D+01  0.245445D+01 -0.272628D+01 -0.381588D+01
      2  -0.346740D+01 -0.173686D+01 -0.995905D+00 -0.381588D+01  0.243096D+00
      3   0.245445D+01 -0.995905D+00  0.459961D+00 -0.817362D+00 -0.151171D+01
                66            67            68            69            70 
      1  -0.817362D+00 -0.396078D+01 -0.953674D+00 -0.163834D+01 -0.412358D+00
      2  -0.151171D+01 -0.953674D+00  0.272924D+01 -0.178742D+01 -0.189948D+01
      3  -0.131921D+01 -0.163834D+01 -0.178742D+01  0.422503D+01 -0.222100D+01
                71            72            73            74            75 
      1  -0.189948D+01 -0.222100D+01  0.528002D+00  0.286953D+00 -0.906314D+00
      2  -0.187941D+01  0.436575D+01  0.286953D+00 -0.131935D+00 -0.307730D-01
      3   0.436575D+01  0.183387D+01 -0.906314D+00 -0.307730D-01 -0.358106D+00
                76            77            78            79            80 
      1  -0.635725D-01  0.247874D+00  0.354808D+00 -0.134644D+01  0.566202D-01
      2   0.247874D+00 -0.699300D+00 -0.839524D+00  0.566202D-01 -0.992421D+00
      3   0.354808D+00 -0.839524D+00 -0.198783D+01  0.117716D+01 -0.435823D+00
                81            82            83            84            85 
      1   0.117716D+01  0.891832D+01  0.362821D+01 -0.123286D+01  0.278248D+01
      2  -0.435823D+00  0.362821D+01  0.291210D+01 -0.761901D+00  0.192321D+01
      3  -0.809851D+01 -0.123286D+01 -0.761901D+00  0.108422D+01 -0.497369D+00
                86            87            88            89            90 
      1   0.192321D+01 -0.497369D+00  0.708691D+00  0.245871D+00  0.101417D+01
      2   0.203719D+01 -0.209443D+00  0.245871D+00  0.769518D+00  0.289165D+00
      3  -0.209443D+00  0.283019D+00  0.101417D+01  0.289165D+00 -0.588107D+00
                91            92            93            94            95 
      1   0.311386D+01 -0.183066D+01 -0.153999D+01 -0.324467D+01  0.344900D+01
      2  -0.183066D+01  0.197472D+01  0.317652D+01  0.344900D+01  0.325547D+01
      3  -0.153999D+01  0.317652D+01 -0.309051D+01  0.418940D+01  0.986988D+00
                96            97            98            99           100 
      1   0.418940D+01 -0.260658D+00  0.338065D+01 -0.336595D+01  0.277252D+01
      2   0.986988D+00  0.338065D+01  0.212040D+01  0.401788D-01 -0.171248D+01
      3  -0.109698D+01 -0.336595D+01  0.401788D-01 -0.166698D+01 -0.294341D+00
               101           102           103           104           105 
      1  -0.171248D+01 -0.294341D+00 -0.161662D+01  0.436250D+01  0.318837D+01
      2   0.299506D+01  0.252405D+01  0.436250D+01  0.114409D+01  0.199124D+01
      3   0.252405D+01 -0.351983D+01  0.318837D+01  0.199124D+01 -0.402884D+00
               106           107           108           109           110 
      1  -0.144668D+01  0.356707D+01 -0.330487D+01 -0.828416D+00 -0.314331D+01
      2   0.356707D+01  0.128946D+01 -0.465677D+00 -0.314331D+01 -0.167982D+01
      3  -0.330487D+01 -0.465677D+00  0.134522D+01 -0.103715D+00 -0.426857D+01
               111           112           113           114           115 
      1  -0.103715D+00 -0.325083D+01 -0.181487D+01 -0.413746D+01  0.577802D+00
      2  -0.426857D+01 -0.181487D+01  0.413690D+00 -0.227985D+01 -0.397261D+01
      3  -0.647804D+00 -0.413746D+01 -0.227985D+01  0.315441D+01 -0.106523D+01
               116           117           118           119           120 
      1  -0.397261D+01 -0.106523D+01 -0.409012D+01  0.206146D+01  0.226060D+01
      2  -0.104750D+01  0.365688D+01  0.206146D+01 -0.250970D+01 -0.168410D+01
      3   0.365688D+01 -0.123738D+01  0.226060D+01 -0.168410D+01 -0.189381D+01
               121           122           123           124           125 
      1   0.170463D+01 -0.236377D+01 -0.166721D+01  0.198242D+01 -0.180688D+01
      2  -0.236377D+01  0.395593D+01  0.196954D+01 -0.180688D+01  0.208767D+01
      3  -0.166721D+01  0.196954D+01  0.196660D+01 -0.208776D+01  0.240312D+01
               126           127           128           129           130 
      1  -0.208776D+01  0.148214D+01  0.185684D+01  0.118601D+00  0.155386D+01
      2   0.240312D+01  0.185684D+01  0.302499D+01  0.606940D+00  0.219122D+01
      3   0.347139D+01  0.118601D+00  0.606940D+00  0.239891D+00  0.386499D+00
               131           132           133           134           135 
      1   0.219122D+01  0.386499D+00  0.582400D+00  0.988094D+00  0.210823D+00
      2   0.943140D+01  0.120762D+01  0.988094D+00  0.298079D+01  0.154173D+01
      3   0.120762D+01  0.103875D+01  0.210823D+00  0.154173D+01  0.903167D+00
               136           137           138           139           140 
      1  -0.286278D+01  0.118317D+01 -0.175765D+01  0.590185D+00 -0.103022D+01
      2   0.118317D+01 -0.187391D+01  0.151970D+01 -0.103022D+01  0.274158D+01
      3  -0.175765D+01  0.151970D+01 -0.200348D+01  0.848338D+00 -0.139631D+01
               141           142           143           144           145 
      1   0.848338D+00 -0.204374D+01  0.126552D+01 -0.191942D+01  0.537526D-01
      2  -0.139631D+01  0.126552D+01 -0.221861D+01  0.221187D+01 -0.333116D+00
      3   0.130208D+01 -0.191942D+01  0.221187D+01 -0.374604D+01  0.651212D+00
               146           147           148           149           150 
      1  -0.333116D+00  0.651212D+00 -0.112441D+01  0.151798D+01 -0.462560D+00
      2  -0.378772D+00  0.209754D+00  0.151798D+01 -0.554848D+01  0.276298D+01
      3   0.209754D+00 -0.151515D+00 -0.462560D+00  0.276298D+01 -0.265764D+01
               151           152           153           154           155 
      1   0.156428D+01 -0.839717D+00  0.102648D+01  0.849007D+01  0.160301D+01
      2  -0.839717D+00  0.333761D+01 -0.295753D+01  0.160301D+01  0.121901D+01
      3   0.102648D+01 -0.295753D+01  0.294685D+01  0.150653D+01  0.373238D+00
               156           157           158           159           160 
      1   0.150653D+01  0.450214D+01  0.145883D+01  0.835301D+00  0.192359D+01
      2   0.373238D+00  0.145883D+01  0.146047D+01  0.531638D+00  0.448452D+00
      3   0.123533D+01  0.835301D+00  0.531638D+00  0.477324D+00  0.171231D+01
               161           162           163           164           165 
      1   0.448452D+00  0.171231D+01  0.171653D+01 -0.569071D+00 -0.119313D+01
      2   0.625658D+00 -0.146033D+00 -0.569071D+00  0.657935D+00  0.824986D+00
      3  -0.146033D+00  0.721190D+00 -0.119313D+01  0.824986D+00  0.106410D+01
               166           167           168           169           170 
      1  -0.110811D+01  0.153365D+01  0.106620D+01 -0.316085D+01  0.192313D+01
      2   0.153365D+01 -0.263984D+01 -0.141529D+01  0.192313D+01 -0.234135D+01
      3   0.106620D+01 -0.141529D+01 -0.210240D+01  0.232865D+01 -0.257958D+01
               171           172           173           174           175 
      1   0.232865D+01  0.156779D+01  0.256867D+00  0.112416D+01  0.145720D+00
      2  -0.257958D+01  0.256867D+00  0.681868D+00 -0.929870D+00 -0.243423D-01
      3  -0.486985D+01  0.112416D+01 -0.929870D+00  0.236413D+01 -0.564315D+00
               176           177           178           179           180 
      1  -0.243423D-01 -0.564315D+00  0.156750D+01 -0.251343D+00  0.102073D+01
      2  -0.120451D+01  0.112057D+01 -0.251343D+00  0.116973D+01 -0.160220D+01
      3   0.112057D+01 -0.116238D+01  0.102073D+01 -0.160220D+01  0.631801D+01
               181           182           183           184           185 
      1  -0.239158D+01 -0.170589D+01 -0.231550D-01 -0.273218D+01 -0.337460D+01
      2  -0.170589D+01 -0.207854D+01 -0.387130D+00 -0.337460D+01 -0.639229D+01
      3  -0.231550D-01 -0.387130D+00 -0.661508D-01 -0.150575D+00 -0.122349D+00
               186           187           188           189           190 
      1  -0.150575D+00 -0.136289D+01 -0.120818D+01 -0.934341D-01 -0.764094D+01
      2  -0.122349D+00 -0.120818D+01 -0.162160D+01 -0.713041D+00  0.162574D+01
      3  -0.115998D+01 -0.934341D-01 -0.713041D+00 -0.594686D+00  0.270866D+01
               191           192           193           194           195 
      1   0.162574D+01  0.270866D+01  0.415814D+01 -0.203986D+01 -0.196477D+01
      2  -0.155207D+01 -0.691967D+00 -0.203986D+01  0.138206D+01  0.660878D+00
      3  -0.691967D+00 -0.174116D+01 -0.196477D+01  0.660878D+00  0.170267D+01
               196           197           198           199           200 
      1   0.161320D+01 -0.773514D+00 -0.142783D+01  0.149372D+01  0.857011D+00
      2  -0.773514D+00  0.177784D+00  0.540294D+00  0.857011D+00  0.529718D+00
      3  -0.142783D+01  0.540294D+00  0.171638D+01 -0.699188D+00 -0.757118D+00
               201           202           203           204           205 
      1  -0.699188D+00  0.111501D+01  0.750005D-01 -0.327539D+00 -0.113747D+01
      2  -0.757118D+00  0.750005D-01  0.124726D+01 -0.141423D+01 -0.648235D+00
      3   0.231847D+01 -0.327539D+00 -0.141423D+01  0.171980D+01  0.758102D+00
               206           207           208           209           210 
      1  -0.648235D+00  0.758102D+00 -0.686271D+01  0.294343D+01 -0.320311D+00
      2  -0.150457D+01  0.174749D+01  0.294343D+01 -0.244758D+01 -0.913445D-01
      3   0.174749D+01 -0.570935D+01 -0.320311D+00 -0.913445D-01 -0.761450D+00
               211           212           213           214           215 
      1   0.411259D+01 -0.323927D+01  0.265988D-01  0.187181D+01 -0.964467D+00
      2  -0.323927D+01  0.299475D+01 -0.369202D+00 -0.964467D+00  0.584192D+00
      3   0.265988D-01 -0.369202D+00  0.935001D+00 -0.489886D+00  0.546444D+00
               216           217           218           219           220 
      1  -0.489886D+00 -0.322796D+01 -0.158923D+01 -0.132563D+01 -0.341609D+01
      2   0.546444D+00 -0.158923D+01 -0.182078D+01 -0.106402D+01 -0.277956D+01
      3   0.375759D+00 -0.132563D+01 -0.106402D+01 -0.814471D+00 -0.207645D+01
               221           222           223           224           225 
      1  -0.277956D+01 -0.207645D+01 -0.108971D+01 -0.114382D+01 -0.105037D+01
      2  -0.387591D+01 -0.176424D+01 -0.114382D+01 -0.119227D+01 -0.122092D+01
      3  -0.176424D+01 -0.226469D+01 -0.105037D+01 -0.122092D+01 -0.191331D+01
               226           227           228           229           230 
      1  -0.999339D+00 -0.403566D+00  0.997988D+00 -0.736882D+00  0.252847D-01
      2  -0.403566D+00 -0.156500D+00  0.632339D+00  0.252847D-01 -0.230472D+01
      3   0.997988D+00  0.632339D+00 -0.549493D+00  0.475034D+00  0.238121D+01
               231           232           233           234           235 
      1   0.475034D+00  0.104466D+01  0.383748D+00 -0.130776D+00  0.450549D+01
      2   0.238121D+01  0.383748D+00  0.152461D+01 -0.226462D+01  0.252449D+01
      3  -0.354284D+01 -0.130776D+00 -0.226462D+01  0.634182D+01  0.246679D+01
               236           237           238           239           240 
      1   0.252449D+01  0.246679D+01  0.280007D+01  0.244894D+01  0.207252D+01
      2   0.215071D+01  0.193912D+01  0.244894D+01  0.354961D+01  0.221576D+01
      3   0.193912D+01  0.252201D+01  0.207252D+01  0.221576D+01  0.197909D+01
               241           242           243 
      1   0.128700D+01  0.120695D+01  0.188750D+01
      2   0.120695D+01  0.131617D+01  0.123658D+01
      3   0.188750D+01  0.123658D+01  0.293726D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.589793D+00  0.283627D+01  0.453383D+00  0.623645D+00  0.226972D+01
      2  -0.306279D+01 -0.490689D-01  0.124640D+02  0.204226D+01  0.236343D+01
      3  -0.576571D+01 -0.706264D+01  0.842819D-01  0.377220D+01  0.628262D+01
                 6             7             8             9            10 
      1  -0.474257D+01  0.174293D+01  0.209049D+01 -0.448511D+00  0.582423D+01
      2  -0.664234D+01 -0.557399D+00 -0.100888D+02 -0.426725D+01 -0.162382D+01
      3  -0.227179D+01 -0.425353D+01 -0.755628D+01  0.511140D+01  0.932642D+01
                11            12            13            14            15 
      1  -0.169985D+01 -0.174509D+01 -0.153851D+01  0.150678D+01 -0.142568D+01
      2  -0.267513D+00  0.316729D+01 -0.425322D+01 -0.167234D+01  0.635947D+01
      3  -0.467806D+01 -0.162897D+01 -0.263701D+01 -0.375876D+01  0.337610D+01
                16            17            18            19            20 
      1  -0.881873D+00  0.444266D+01 -0.877082D+01 -0.129738D+00 -0.146310D+01
      2  -0.416010D+01  0.841414D+01  0.112040D+02  0.244756D+01  0.383387D+01
      3  -0.421539D+00  0.869281D+01 -0.500847D+01  0.268886D+01  0.956532D+00
                21            22            23            24            25 
      1  -0.155147D+01  0.115012D+01 -0.733236D+01  0.639097D+01 -0.797558D+00
      2  -0.714112D+01  0.992095D+01 -0.128255D+01  0.307058D+01 -0.199016D+02
      3  -0.288043D+01  0.705872D+01 -0.401067D+01  0.757734D+00 -0.840711D+01
                26            27            28            29            30 
      1   0.989938D+01  0.917601D+01 -0.270384D+00  0.761256D+00 -0.201015D+00
      2   0.364830D+01  0.210421D+01 -0.141586D+01 -0.160540D+01  0.340765D+01
      3   0.451314D+00 -0.102799D+01 -0.164723D+00  0.592053D+00  0.202835D+01
                31            32            33            34            35 
      1  -0.409199D+00  0.411166D+01 -0.103396D+02 -0.107722D+00 -0.331700D+00
      2  -0.919731D+01  0.230596D+00  0.176218D+01  0.724019D+00  0.561644D-01
      3   0.126367D+02  0.300077D+01  0.144884D+01  0.946644D+01  0.973620D+00
                36            37            38            39            40 
      1  -0.710866D+01  0.897663D+00 -0.247289D+01  0.310662D+01 -0.785306D+00
      2   0.606537D+00  0.142890D+01  0.314708D+01  0.130183D+01  0.727903D+01
      3   0.110893D+01 -0.147871D+01 -0.122361D+02 -0.483292D+01 -0.203178D+01
                41            42            43            44            45 
      1  -0.160234D+01 -0.652660D+01  0.214844D+01  0.309545D+01 -0.340649D+00
      2   0.424799D+01 -0.499691D+01 -0.931505D+01  0.611896D+00 -0.192894D+01
      3  -0.105889D+01 -0.468607D+01 -0.736462D+01 -0.185725D+01  0.568372D+00
                46            47            48            49            50 
      1   0.397954D+01 -0.493015D+01  0.564791D+01 -0.576356D+01  0.345339D+00
      2   0.190506D+01 -0.197869D+01  0.532575D+01 -0.480110D+01 -0.122238D+01
      3  -0.262572D+01 -0.202572D+01 -0.641101D+00  0.503090D+01  0.489984D+01
                51            52            53            54            55 
      1   0.108391D-01  0.587038D+01  0.790265D+01 -0.659976D+00 -0.488412D+01
      2  -0.356210D+01 -0.206938D+01 -0.505085D+01 -0.318842D+00 -0.983550D+00
      3   0.628261D+01  0.714852D+00  0.608984D+01 -0.204732D+01  0.693926D+00
                56            57            58            59            60 
      1   0.119951D+02 -0.500983D+01  0.110450D+02  0.583892D+01 -0.250755D+01
      2   0.413135D+00  0.298572D+01  0.761403D+00 -0.126767D+01 -0.181589D+01
      3  -0.180380D+01  0.332638D+01  0.655766D+01 -0.611696D+01 -0.906972D+01
                61            62            63            64            65 
      1  -0.672520D+01  0.551241D+01 -0.233423D+01 -0.644152D+00 -0.261174D+01
      2  -0.683174D+00 -0.239092D+01  0.249194D+01 -0.737445D+00 -0.399009D+01
      3   0.342399D+01 -0.110488D+02  0.828140D+01  0.149809D+02  0.200003D+01
                66            67            68            69            70 
      1  -0.182740D+01 -0.259030D+01 -0.213874D+01  0.436003D+01 -0.560343D+01
      2  -0.147969D+01 -0.561798D+01 -0.475644D+01  0.124249D+02 -0.100940D+02
      3   0.583546D+01  0.111021D+02 -0.830009D+01  0.768279D+01  0.605467D+01
                71            72            73            74            75 
      1   0.892929D+01  0.319275D+01  0.692879D+00  0.707872D+00  0.534363D+00
      2   0.135030D+02  0.558664D+01 -0.214575D+01 -0.183614D+00 -0.126816D+01
      3   0.725716D+01 -0.108965D+02 -0.759919D+00 -0.143475D+00 -0.668909D+00
                76            77            78            79            80 
      1  -0.103437D+00  0.288856D+01  0.194996D+01 -0.139918D+01  0.504485D+01
      2  -0.538011D+00 -0.158516D+01 -0.371073D+01 -0.270212D+01 -0.940487D+00
      3   0.415577D+00  0.196321D+01  0.120449D+01 -0.109199D+01  0.204924D+01
                81            82            83            84            85 
      1   0.972963D+01 -0.172471D+01 -0.216524D+01 -0.149894D+01 -0.142762D+01
      2  -0.137862D+02  0.518180D+01 -0.511473D+00  0.410097D+01  0.271009D+01
      3   0.193197D+01  0.292454D+01 -0.600833D+01  0.785075D+00  0.147026D+01
                86            87            88            89            90 
      1  -0.159446D+01 -0.132091D+01 -0.785238D+00 -0.298468D+00  0.457554D+00
      2   0.130479D+01  0.504137D+00  0.697204D+00 -0.730724D+00 -0.621739D+00
      3  -0.242390D+01 -0.507509D+00  0.318802D-01 -0.207369D+01  0.317428D+00
                91            92            93            94            95 
      1  -0.348693D+01  0.663210D+01  0.196867D+00  0.847526D+01  0.778028D+01
      2   0.407307D+00 -0.624373D+01  0.114520D+02 -0.956657D+01 -0.694617D+01
      3  -0.667841D+01  0.436849D+01  0.963240D+01  0.109864D+02  0.661902D+01
                96            97            98            99           100 
      1  -0.452561D+00  0.139834D+01  0.493366D+01 -0.389250D+01  0.929327D+00
      2  -0.104618D+01  0.793055D+01 -0.494807D+01  0.115745D+02  0.373354D+01
      3   0.956370D+00  0.104381D+02  0.182298D+01  0.310791D+01 -0.286444D+01
               101           102           103           104           105 
      1  -0.402766D+01 -0.431597D+01 -0.693503D+01 -0.222711D+01 -0.555478D+01
      2  -0.835392D+01  0.111118D+02 -0.884136D+01 -0.200549D+01  0.568710D+01
      3   0.599362D+01  0.713009D+01  0.142258D+02  0.369844D+01  0.712160D+01
               106           107           108           109           110 
      1  -0.518189D+01 -0.132942D+01  0.277891D+00 -0.673614D+01  0.148725D+00
      2   0.649260D+01  0.527379D+01 -0.891787D+01 -0.379127D+01 -0.335376D+00
      3   0.108687D+02  0.439251D+01 -0.235353D+01  0.340868D+01 -0.437378D+01
               111           112           113           114           115 
      1  -0.833713D+01 -0.774731D+00 -0.780176D+00 -0.105056D+02 -0.672243D+01
      2  -0.866256D+00  0.126469D+01 -0.222431D+01  0.106942D+02 -0.515956D+01
      3   0.267123D+01  0.103293D+01 -0.377349D+01  0.142720D-01  0.401579D+01
               116           117           118           119           120 
      1  -0.289617D+01  0.630879D+01 -0.157821D+01 -0.795093D+00  0.220928D+01
      2   0.108211D+02 -0.228517D+01  0.331365D+01 -0.969937D+00  0.105674D+01
      3  -0.530731D+00 -0.407911D+01 -0.591722D+01 -0.116594D+01  0.213977D+01
               121           122           123           124           125 
      1   0.468744D+00  0.142512D+01 -0.300625D+01  0.134118D+01  0.236525D+00
      2  -0.108272D+01  0.906670D+00 -0.100829D+01 -0.293303D+01  0.350424D+00
      3   0.309398D+01  0.547936D-01 -0.117529D+01  0.302113D+01  0.358146D-01
               126           127           128           129           130 
      1  -0.382361D+01 -0.826852D+00 -0.351510D+01 -0.160756D+01 -0.223353D+01
      2  -0.991616D+00  0.515349D+00  0.552855D+00  0.145635D+01  0.459755D+00
      3  -0.133224D+01  0.417660D+01  0.232308D+01  0.331916D+00  0.598177D+01
               131           132           133           134           135 
      1  -0.712771D+01 -0.623352D+01 -0.507585D+00 -0.390361D+01 -0.401835D+01
      2   0.113880D+01  0.113851D+01 -0.235002D+00  0.690914D+00 -0.140110D+00
      3   0.299816D+01  0.912497D+00  0.217532D+01  0.172427D+01 -0.127451D+00
               136           137           138           139           140 
      1   0.504873D+01 -0.195559D+01  0.595811D+01 -0.134969D+01  0.199653D+01
      2  -0.372544D+01  0.505124D+00 -0.912398D+00  0.659348D+00 -0.118288D+01
      3  -0.999745D+01  0.134615D+01 -0.478434D+01  0.261448D+01 -0.220939D+01
               141           142           143           144           145 
      1  -0.325339D+01  0.536077D+01 -0.203491D+01  0.973274D+01  0.717834D+00
      2   0.138902D+00 -0.484064D+01  0.104888D+01 -0.168828D+01  0.183477D+01
      3   0.270188D+01 -0.732481D+01  0.334620D+01 -0.568961D+01  0.110585D+01
               146           147           148           149           150 
      1   0.126635D-01 -0.411757D+00 -0.399925D+00  0.178465D+01 -0.530512D+01
      2   0.193006D+00 -0.894701D-01  0.766279D-02  0.737884D+01 -0.788776D+01
      3   0.494327D+00 -0.142510D+01 -0.317334D+00  0.143523D+02 -0.773845D+01
               151           152           153           154           155 
      1   0.800244D+00 -0.169725D+01  0.438896D+01  0.197746D+01  0.136816D+01
      2   0.197463D+00 -0.791826D+01  0.815056D+01  0.235433D+01  0.880833D+00
      3  -0.971266D+00 -0.920895D+01  0.764489D+01 -0.125940D+02 -0.836738D+01
               156           157           158           159           160 
      1   0.930847D+00  0.117446D+01  0.131480D+01 -0.412614D+00  0.172979D+01
      2   0.559764D+01  0.167433D+01  0.116501D+01  0.228441D+01  0.292174D+01
      3  -0.289442D+01 -0.676657D+01 -0.723767D+01 -0.230713D+01 -0.351112D+01
               161           162           163           164           165 
      1   0.937634D+00  0.490804D+00 -0.175587D+01  0.110662D+01  0.193574D+01
      2  -0.495743D+00  0.211182D+01 -0.368495D+01  0.284673D+01  0.421973D+01
      3  -0.307295D+01 -0.113583D+01  0.384370D+00 -0.197039D+01 -0.855497D+00
               166           167           168           169           170 
      1   0.171029D+01 -0.149931D+01 -0.460062D+01  0.332246D+01 -0.180697D+01
      2   0.250306D+01 -0.419371D+01 -0.697252D+01  0.418755D+01 -0.748211D+01
      3  -0.111140D+01  0.607698D+01  0.298583D+01 -0.542639D+00  0.573587D+01
               171           172           173           174           175 
      1  -0.796621D+01  0.266383D+01  0.120585D+01  0.181222D+01 -0.364510D+00
      2  -0.150014D+02 -0.870669D+01  0.992519D+00 -0.719001D+01  0.159656D+01
      3   0.539490D+01 -0.325526D+01  0.413503D+00 -0.357020D+01  0.100658D+01
               176           177           178           179           180 
      1  -0.100283D+01 -0.620297D+00  0.135393D+01  0.232171D+01  0.481506D+01
      2  -0.253619D+01  0.318685D+01 -0.919840D+01  0.359346D+01 -0.164869D+02
      3  -0.241733D+01  0.280559D+01 -0.363515D+01  0.245840D+01 -0.539327D+01
               181           182           183           184           185 
      1  -0.275473D+01 -0.339303D+01 -0.113957D+01 -0.458660D+01 -0.910847D+01
      2   0.286059D+01  0.293894D+01  0.107686D+01  0.352520D+01  0.482410D+01
      3  -0.156297D+01 -0.461145D+01 -0.777562D+00 -0.293034D+01 -0.137309D+02
               186           187           188           189           190 
      1  -0.450868D+01 -0.963183D+00 -0.221361D+01 -0.283218D+01  0.401842D+01
      2   0.448511D+01 -0.495242D-02  0.287025D+01  0.216391D+01  0.220793D+01
      3  -0.621697D+00 -0.634138D+00 -0.349701D+01 -0.215249D+01  0.791996D+01
               191           192           193           194           195 
      1  -0.390807D+01 -0.156269D+01 -0.353147D+01  0.286304D+01  0.337645D+00
      2  -0.574973D+00  0.365760D+01  0.337583D+00  0.646373D+00 -0.378267D+01
      3  -0.750758D+01 -0.321287D+01 -0.494041D+01  0.560696D+01  0.168837D+01
               196           197           198           199           200 
      1  -0.229730D+01  0.162851D+01  0.202230D+01 -0.203579D+01 -0.220515D+01
      2  -0.342330D+00 -0.155992D+00 -0.296479D+01  0.692703D+01  0.397625D+01
      3  -0.322398D+01  0.187087D+01  0.215725D+01  0.330810D+01  0.144734D+01
               201           202           203           204           205 
      1   0.599764D+00 -0.122296D+01 -0.272274D+01  0.683802D+00  0.139333D+01
      2  -0.627144D+01  0.423417D+01  0.450741D+01 -0.524316D+01 -0.742989D+01
      3  -0.233451D+01  0.240639D+01  0.371130D+01 -0.373684D+01 -0.305768D+01
               206           207           208           209           210 
      1   0.426085D+01 -0.741061D+00 -0.322643D+01  0.317104D+01  0.182847D+01
      2  -0.600873D+01  0.149990D+02 -0.504643D+01  0.330958D+01  0.407683D+01
      3  -0.374955D+01  0.479628D+01  0.466221D+01 -0.739838D+01 -0.430770D+00
               211           212           213           214           215 
      1   0.365682D+01 -0.335902D+01 -0.171650D+01  0.998164D+00  0.121334D+00
      2   0.362215D+01 -0.174805D+01 -0.429030D+01  0.652489D+00 -0.156115D+01
      3  -0.514437D+01  0.802980D+01 -0.927280D+00 -0.195168D+01  0.184849D+01
               216           217           218           219           220 
      1  -0.135147D+01  0.293883D+01  0.331380D+01  0.122342D+01  0.376734D+01
      2  -0.206120D+01 -0.400921D+00  0.615292D+00  0.172076D+01  0.319255D+00
      3   0.118354D+01 -0.460601D+01 -0.612680D+01 -0.319923D+01 -0.475049D+01
               221           222           223           224           225 
      1   0.749903D+01  0.598602D+00  0.218150D+01  0.322899D+01  0.149298D+01
      2   0.151749D+01  0.459647D+01 -0.164491D+00  0.127930D+01  0.378433D+01
      3  -0.121800D+02 -0.441865D+01 -0.312894D+01 -0.404697D+01 -0.329298D+01
               226           227           228           229           230 
      1  -0.174647D+01 -0.196155D+01  0.190086D+01 -0.431796D+00 -0.672977D+01
      2   0.472864D+01  0.239778D+01 -0.174615D+01  0.462756D+01  0.282820D+01
      3   0.585713D+00 -0.511800D-01 -0.173822D+00  0.233409D+01  0.270866D+01
               231           232           233           234           235 
      1   0.481773D+01  0.132253D+01  0.726575D+01 -0.699380D+01  0.270156D+01
      2  -0.541297D+01 -0.522856D+01 -0.359061D+01  0.629006D+01 -0.478604D+01
      3  -0.222512D+01 -0.877216D+00 -0.102531D+01  0.251543D+01  0.195352D+01
               236           237           238           239           240 
      1   0.384470D+01  0.870556D+00  0.264102D+01  0.524437D+01  0.637708D+00
      2  -0.118301D+01  0.203078D+01 -0.364679D+01 -0.436364D+00  0.389874D-01
      3  -0.229799D+01 -0.121696D-01  0.186350D+01 -0.263292D+01 -0.515697D+00
               241           242           243 
      1   0.115957D+01  0.255387D+01 -0.445569D+00
      2  -0.174427D+01 -0.950918D+00  0.655212D+00
      3   0.186498D+00 -0.108191D+01  0.417085D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.160121D+02  0.707544D+01 -0.166019D+01  0.129477D+02  0.225204D+00
      2  -0.100558D+02 -0.445017D+01 -0.273350D+01 -0.807943D+01  0.579018D+01
      3  -0.595633D+01 -0.262527D+01  0.439369D+01 -0.486825D+01 -0.601539D+01
      4   0.125734D+02  0.400176D+01  0.132954D+01  0.229911D+01 -0.440842D+01
      5  -0.180436D+01  0.369116D+01  0.104668D+02  0.736982D+01  0.867877D+01
      6  -0.118389D+01  0.105862D+01  0.620616D+01  0.445490D+01  0.701785D+01
                 6             7             8             9            10 
      1   0.386380D+01  0.348115D+01  0.652968D+01  0.735291D+01 -0.202594D+02
      2   0.238418D-01 -0.192605D+01 -0.133116D+00 -0.209303D+01  0.282120D+01
      3  -0.388764D+01 -0.155510D+01 -0.639656D+01 -0.525988D+01  0.174382D+02
      4   0.518387D+01  0.499687D+01  0.746105D+01 -0.125210D+02 -0.263074D+02
      5  -0.660178D+01  0.662196D+01 -0.129891D+02 -0.173724D+01  0.918177D+01
      6  -0.138673D+01 -0.418755D+01 -0.311471D+01 -0.125740D+01  0.757456D+01
                11            12            13            14            15 
      1  -0.175274D+02  0.119674D+01 -0.183540D+02 -0.514879D+01  0.780161D+01
      2   0.132085D+02  0.240457D+01  0.112626D+02 -0.147524D+01  0.881886D+00
      3   0.431890D+01 -0.360131D+01  0.709137D+01  0.662403D+01 -0.868349D+01
      4  -0.129838D+02  0.309620D+01 -0.120320D+02  0.327239D+01 -0.432805D+01
      5   0.964597D+01  0.173287D+01  0.619061D+01 -0.652880D+01  0.778104D+01
      6   0.664735D+01 -0.157516D+01  0.679889D+00 -0.661891D+01  0.508658D+01
                16            17            18            19            20 
      1  -0.584275D+01  0.412706D+01  0.588590D+01 -0.199876D+02 -0.575181D+00
      2   0.314578D+01  0.350857D+00  0.142724D+02  0.125623D+02 -0.222500D+01
      3   0.269698D+01 -0.447792D+01 -0.201583D+02  0.742534D+01  0.280018D+01
      4  -0.248487D+01 -0.604776D+01  0.831818D+01 -0.213480D+01 -0.443095D+01
      5   0.152769D+01  0.103618D+02  0.909674D+01  0.137511D+01 -0.146861D+01
      6   0.296532D+01  0.847084D+01 -0.665492D+00  0.117416D+01 -0.190447D+01
                21            22            23            24            25 
      1  -0.687781D+00 -0.302132D+01  0.181509D+02  0.631325D+01 -0.370153D+01
      2   0.887992D+00  0.514845D+00 -0.267601D+02 -0.122687D+01  0.383803D+01
      3  -0.200211D+00  0.250648D+01  0.860920D+01 -0.508638D+01 -0.136501D+00
      4  -0.901804D-01 -0.831911D+01  0.348964D+01 -0.698907D-01 -0.712717D+01
      5  -0.731052D+01 -0.997668D+01 -0.389081D+01  0.346721D+01 -0.106319D+01
      6  -0.756903D+00 -0.347852D+00 -0.185256D+02 -0.116000D+02 -0.196033D+00
                26            27            28            29            30 
      1   0.812274D+01  0.289435D+01  0.124850D+01 -0.110112D+01 -0.111352D+01
      2  -0.146841D+02 -0.599329D+01  0.282740D+01  0.176374D+01  0.186736D+00
      3   0.656136D+01  0.309893D+01 -0.407590D+01 -0.662619D+00  0.926788D+00
      4  -0.684502D+00  0.254401D+01  0.150158D+01  0.125832D+02  0.350244D+01
      5   0.173298D+01 -0.161587D+00 -0.948719D-01  0.308228D+01  0.716867D+01
      6  -0.328722D+01 -0.111194D+02  0.439761D+01  0.672683D+00  0.148145D+01
                31            32            33            34            35 
      1   0.172261D+01 -0.428401D+02 -0.149290D+02  0.459794D+00 -0.172658D+02
      2  -0.481868D+00  0.635976D+02  0.118560D+02 -0.997122D+00  0.134943D+02
      3  -0.124075D+01 -0.207575D+02  0.307302D+01  0.537328D+00  0.377151D+01
      4   0.152233D+02  0.899629D-01 -0.770365D+00  0.543398D+01 -0.903454D+00
      5   0.506458D+01  0.184691D+01  0.108575D+01  0.815847D+01  0.226388D+01
      6  -0.235264D+00  0.296466D+02  0.234976D+02  0.101619D+01  0.255468D+02
                36            37            38            39            40 
      1  -0.183485D+02  0.134604D+02  0.240360D+01  0.627466D+00 -0.527916D+01
      2   0.790728D+01 -0.441161D+01 -0.198949D+01  0.138274D+01  0.612715D+01
      3   0.104412D+02 -0.904882D+01 -0.414106D+00 -0.201021D+01 -0.847981D+00
      4  -0.318791D+00 -0.394314D+01  0.893876D+01  0.109473D+02  0.584852D+01
      5   0.257204D+01 -0.516289D+01  0.929017D+01 -0.736382D+01  0.155324D+02
      6   0.233544D+02  0.502002D+01 -0.983412D+00 -0.769729D+01  0.156677D+01
                41            42            43            44            45 
      1   0.856289D+01  0.114209D+02 -0.817633D+00  0.127569D+02 -0.139814D+02
      2  -0.418604D+01 -0.108666D+02 -0.453069D+00 -0.969721D+01  0.934446D+01
      3  -0.437685D+01 -0.554345D+00  0.127070D+01 -0.305965D+01  0.463694D+01
      4  -0.208856D+01  0.449863D+01  0.155569D+02  0.867663D+00 -0.445850D+01
      5   0.424611D+01 -0.972237D+01 -0.166743D+02 -0.209063D+01 -0.158788D+01
      6   0.682166D+00 -0.174541D+01 -0.474900D+01 -0.171853D+01  0.642974D+01
                46            47            48            49            50 
      1  -0.899679D+00 -0.602622D+01 -0.890816D+01 -0.876139D+01 -0.487166D+01
      2   0.473751D+01  0.260901D+01  0.123382D+02  0.370242D+01  0.456863D+01
      3  -0.383783D+01  0.341721D+01 -0.343007D+01  0.505897D+01  0.303031D+00
      4   0.661722D+01 -0.529641D+01 -0.713027D+01 -0.652534D+01  0.598585D+01
      5   0.299138D+01 -0.216025D+01 -0.745489D+01 -0.341980D+01  0.457596D+01
      6  -0.439019D+01  0.159522D+02  0.624668D+01  0.126080D+02 -0.315845D+01
                51            52            53            54            55 
      1  -0.180320D+01 -0.867507D+01 -0.423747D+01  0.490547D+01 -0.172614D-01
      2   0.404555D+01  0.109542D+02  0.699048D+01 -0.562832D+01  0.841926D+00
      3  -0.224235D+01 -0.227909D+01 -0.275301D+01  0.722846D+00 -0.824665D+00
      4   0.863218D+01 -0.117546D+02  0.989765D+01  0.484409D+01  0.179384D-01
      5   0.523598D+01 -0.367630D+01  0.577167D+01  0.215787D+01 -0.188712D+01
      6  -0.635813D+01  0.730213D+01 -0.774339D+01 -0.486496D+01  0.389829D+01
                56            57            58            59            60 
      1   0.843065D+01  0.105113D+02  0.112686D+02  0.124087D+02  0.258873D+01
      2  -0.178433D+02 -0.153120D+02 -0.163567D+02 -0.253328D+02 -0.898194D+01
      3   0.941269D+01  0.480070D+01  0.508812D+01  0.129242D+02  0.639321D+01
      4  -0.578316D+01  0.343266D+01 -0.237668D+01 -0.117278D+02 -0.965973D+01
      5  -0.131155D+01 -0.322730D+01 -0.248981D+01 -0.375758D+01  0.202968D+01
      6  -0.161292D+02  0.990800D+01 -0.112323D+02 -0.781472D+01 -0.892503D+00
                61            62            63            64            65 
      1   0.111150D+02  0.553365D+01  0.229815D+01 -0.246360D+02 -0.224833D+02
      2  -0.151002D+02 -0.138223D+02 -0.280755D+01  0.199904D+02  0.123408D+02
      3   0.398517D+01  0.828863D+01  0.509402D+00  0.464563D+01  0.101426D+02
      4   0.545939D+01 -0.130017D+02  0.570174D+01 -0.225638D+02  0.352651D+01
      5  -0.363364D+01  0.171726D+01 -0.381828D+01 -0.739861D+01 -0.109022D+02
      6   0.981996D+01 -0.582592D+01  0.495713D+01 -0.310905D+01  0.410938D+01
                66            67            68            69            70 
      1  -0.919694D+01 -0.306247D+02  0.462284D+01 -0.157795D+02 -0.815730D+01
      2   0.755704D+01  0.173940D+02 -0.552314D+01  0.118345D+02  0.600065D+01
      3   0.163990D+01  0.132308D+02  0.900298D+00  0.394502D+01  0.215665D+01
      4  -0.821968D+01 -0.192316D+01  0.105656D+02 -0.518373D+01 -0.104755D+02
      5  -0.769433D+01 -0.140168D+02 -0.806107D+01  0.212013D+02 -0.137496D+02
      6   0.145263D+01  0.187246D+01  0.747149D+01 -0.150832D+02  0.833029D+01
                71            72            73            74            75 
      1  -0.156106D+02  0.304151D-01  0.175146D+01  0.208154D+01 -0.349547D+01
      2   0.118905D+02 -0.664495D+01 -0.372239D+01 -0.195782D+01  0.914357D+00
      3   0.372005D+01  0.661453D+01  0.197093D+01 -0.123724D+00  0.258111D+01
      4  -0.414402D+01  0.227180D+02  0.249605D+01  0.161053D+01 -0.106784D+01
      5   0.227191D+02  0.114269D+02 -0.344665D+01 -0.465429D+00  0.488328D+01
      6  -0.167407D+02 -0.316474D+01 -0.127316D+01  0.215720D+00 -0.827018D+00
                76            77            78            79            80 
      1   0.798597D+00 -0.176789D+01 -0.186561D+01 -0.171190D+01  0.406116D+00
      2   0.550853D+00 -0.148396D+01 -0.606858D+01  0.531645D+01 -0.413077D+01
      3  -0.134945D+01  0.325185D+01  0.793419D+01 -0.360456D+01  0.372466D+01
      4   0.245531D+01 -0.214555D+01 -0.201989D+01 -0.190169D+01 -0.248145D+01
      5   0.165213D+01 -0.195237D+01 -0.585438D+01  0.891564D+01 -0.147968D+01
      6  -0.809262D+00  0.170844D+01  0.381474D+01  0.123572D+01  0.470277D+01
                81            82            83            84            85 
      1  -0.162486D+02  0.420825D+02  0.118188D+02 -0.361476D+01  0.931726D+01
      2  -0.231150D+02 -0.169719D+02 -0.156250D+01  0.312085D+01  0.249461D+00
      3   0.393637D+02 -0.251106D+02 -0.102563D+02  0.493909D+00 -0.956672D+01
      4   0.155106D+00  0.348038D+02  0.210367D+02 -0.580600D+01  0.187359D+02
      5  -0.219048D+02 -0.170657D+02 -0.828031D+01  0.903548D+01 -0.546765D+01
      6  -0.918446D+01 -0.855172D+01 -0.645997D+01  0.475134D+01 -0.426522D+01
                86            87            88            89            90 
      1   0.486719D+01 -0.140699D+01  0.406499D+01  0.150552D+00  0.248938D+01
      2   0.387679D+01  0.202928D+00  0.559664D-01  0.880962D+00 -0.400643D+01
      3  -0.874398D+01  0.120406D+01 -0.412095D+01 -0.103151D+01  0.151706D+01
      4   0.147385D+02 -0.244560D+01  0.161471D+01  0.253484D+01  0.350995D+01
      5  -0.304652D+01  0.237750D+01  0.650832D+01  0.176203D+01 -0.330820D+01
      6  -0.396229D+01  0.280144D+01  0.301863D+01  0.155251D+01 -0.104768D+01
                91            92            93            94            95 
      1  -0.184984D+02  0.831064D+01  0.177111D+02  0.156473D+02 -0.119050D+02
      2   0.125126D+02 -0.152032D+02 -0.628088D+01 -0.247075D+02 -0.454855D+01
      3   0.598573D+01  0.689257D+01 -0.114302D+02  0.906027D+01  0.164535D+02
      4   0.897986D+01 -0.974436D+01 -0.122979D+02 -0.128215D+02 -0.173026D+02
      5   0.155201D+02 -0.177771D+02  0.437627D+01 -0.261895D+02 -0.158873D+01
      6  -0.714876D+01  0.162555D+00  0.131170D+02 -0.105707D+01  0.533929D+00
                96            97            98            99           100 
      1  -0.178796D+02  0.140810D+02 -0.147704D+02  0.191350D+02 -0.157029D+02
      2   0.868061D+01 -0.469191D+01  0.328852D+01 -0.479933D+01  0.115142D+01
      3   0.919898D+01 -0.938905D+01  0.114819D+02 -0.143357D+02  0.145515D+02
      4  -0.887572D+01 -0.173762D+02 -0.107067D+02  0.706209D+01  0.126069D+02
      5   0.129558D+02  0.942016D+01  0.612007D+01 -0.665799D+00 -0.430266D+00
      6   0.362047D+01  0.131678D+02  0.205708D+01  0.176963D+01 -0.328857D+00
               101           102           103           104           105 
      1   0.132350D+02 -0.404843D+01  0.155688D+02 -0.182020D+02 -0.158012D+02
      2   0.166933D+01 -0.514979D+01 -0.469644D-01  0.109098D+02  0.587104D+01
      3  -0.149043D+02  0.919822D+01 -0.155218D+02  0.729219D+01  0.993013D+01
      4  -0.203423D+02 -0.116549D+02 -0.269391D+02 -0.301581D+01 -0.880998D+01
      5  -0.923644D+01  0.125940D+02 -0.123878D+02 -0.139207D+02 -0.438620D+01
      6  -0.641983D+01 -0.623227D+01 -0.104167D+02 -0.437438D+01 -0.611804D+01
               106           107           108           109           110 
      1   0.142348D+01 -0.185879D+02  0.192244D+02 -0.152200D+00  0.321384D+01
      2  -0.707570D+01  0.776849D+01 -0.728633D+01 -0.387388D+01  0.519603D+01
      3   0.565222D+01  0.108194D+02 -0.119381D+02  0.402608D+01 -0.840987D+01
      4  -0.173845D+02 -0.394811D+01 -0.261902D+01 -0.767742D+01 -0.559646D+01
      5   0.164688D+02 -0.589961D+01  0.333953D+01 -0.415553D+01 -0.137339D+02
      6  -0.957282D+01 -0.331736D+01  0.690200D+00 -0.807883D+01 -0.113191D+02
               111           112           113           114           115 
      1   0.497496D+01  0.980450D+00  0.468012D+00 -0.973485D+01  0.547908D+01
      2  -0.538594D+01  0.572319D+01  0.260420D+01 -0.591453D+01 -0.634924D+01
      3   0.410985D+00 -0.670364D+01 -0.307221D+01  0.156494D+02  0.870159D+00
      4  -0.851159D+01 -0.829274D+01 -0.309052D+01 -0.709259D+01 -0.780166D+01
      5  -0.313664D+01 -0.139793D+02 -0.885729D+01 -0.533540D+01 -0.506218D+01
      6  -0.119684D+02 -0.991872D+01 -0.499028D+01 -0.563946D+01 -0.809391D+01
               116           117           118           119           120 
      1  -0.102143D+02 -0.349034D+01  0.355431D+01  0.272963D+01  0.180857D+01
      2  -0.529678D+01  0.543857D+01 -0.151883D+01 -0.506697D+01 -0.232636D+00
      3   0.155111D+02 -0.194823D+01 -0.203548D+01  0.233734D+01 -0.157593D+01
      4  -0.564305D+01  0.342209D+01 -0.153808D+02  0.133101D+02  0.977960D+01
      5  -0.176431D+01 -0.209674D+01 -0.119167D+02  0.778018D+01  0.110467D+02
      6  -0.334606D+01  0.631057D+01  0.105884D+02 -0.100361D+02 -0.971322D+01
               121           122           123           124           125 
      1   0.430274D+01 -0.100147D+02 -0.602072D+01  0.270428D+01 -0.639570D+01
      2  -0.626413D+01  0.140447D+02  0.467704D+01 -0.623633D+00  0.323599D+01
      3   0.196140D+01 -0.403002D+01  0.134368D+01 -0.208065D+01  0.315971D+01
      4   0.113613D+02 -0.140513D+02 -0.837126D+01  0.854688D+01 -0.862108D+01
      5   0.630918D+01 -0.754463D+01 -0.611335D+01  0.978485D+01 -0.728300D+01
      6  -0.968388D+01  0.151971D+02  0.131156D+02 -0.991945D+01  0.141888D+02
               126           127           128           129           130 
      1  -0.863938D+01 -0.227619D+01 -0.747860D+01 -0.131551D+01 -0.553575D+01
      2   0.621801D-01  0.893122D+01  0.184845D+02  0.325768D+01  0.130946D+02
      3   0.857720D+01 -0.665503D+01 -0.110059D+02 -0.194217D+01 -0.755886D+01
      4  -0.959572D+01  0.944100D+01  0.157955D+02  0.160084D+01  0.113472D+02
      5  -0.102986D+02  0.577892D+00  0.831064D+00  0.284776D+01  0.126054D+00
      6   0.163068D+02  0.110210D+01  0.293867D+01  0.178642D+01  0.239391D+01
               131           132           133           134           135 
      1  -0.333620D+02 -0.424365D+01 -0.246159D+01 -0.102261D+02 -0.571418D+01
      2   0.643568D+02  0.842170D+01  0.487555D+01  0.190407D+02  0.829404D+01
      3  -0.309948D+02 -0.417805D+01 -0.241396D+01 -0.881457D+01 -0.257986D+01
      4   0.190562D+02  0.333002D+01  0.335166D+01  0.641931D+01  0.291912D+01
      5   0.264637D+01  0.133023D+01  0.257397D+01  0.239970D+01  0.159505D+01
      6   0.763900D+01  0.844197D+01  0.186950D+01  0.118173D+02  0.616095D+01
               136           137           138           139           140 
      1  -0.346577D+00  0.612941D+01 -0.489105D+01  0.274600D+01 -0.988446D+01
      2   0.127963D+01 -0.836354D+01  0.487864D+01 -0.398827D+01  0.146608D+02
      3  -0.933056D+00  0.223413D+01  0.124135D-01  0.124227D+01 -0.477629D+01
      4  -0.108122D+02  0.838455D+01 -0.720289D+01  0.605528D+01 -0.504090D+01
      5   0.702908D+01 -0.320376D+01  0.578338D+01 -0.183165D+01  0.381621D+01
      6  -0.878304D+01  0.987108D+01 -0.105891D+02  0.668398D+01 -0.998472D+01
               141           142           143           144           145 
      1   0.564789D+01 -0.474145D+01  0.964107D+01 -0.106629D+02  0.137667D+01
      2  -0.564290D+01  0.314137D+01 -0.865134D+01  0.364932D+01 -0.234093D+00
      3  -0.499583D-02  0.160008D+01 -0.989733D+00  0.701363D+01 -0.114258D+01
      4   0.508585D+01 -0.761508D+01  0.626852D+01 -0.721623D+01 -0.657948D+00
      5  -0.237360D+01  0.707470D+01 -0.322021D+01  0.559978D+01  0.308506D+01
      6   0.996252D+01 -0.986663D+01  0.153861D+02 -0.203337D+02 -0.231259D+01
               146           147           148           149           150 
      1  -0.283518D+01  0.502352D+01 -0.251308D+01 -0.109311D+02  0.802145D+01
      2   0.190464D+01 -0.248845D+01 -0.181651D+01  0.203146D+02 -0.891136D+01
      3   0.930539D+00 -0.253507D+01  0.432959D+01 -0.938354D+01  0.889906D+00
      4   0.308095D+01 -0.177282D+01  0.118709D+02 -0.265118D+02  0.125262D+02
      5  -0.745731D+00  0.194644D+01 -0.369491D+01  0.136637D+02 -0.141015D+02
      6  -0.120745D+01  0.869954D+00  0.298838D+01 -0.163742D+02  0.141998D+02
               151           152           153           154           155 
      1   0.675266D+01  0.815296D+01 -0.725144D+01  0.649391D+02  0.122203D+02
      2  -0.291282D+01 -0.918238D+01  0.376044D+01 -0.379724D+02 -0.823812D+01
      3  -0.383984D+01  0.102942D+01  0.349101D+01 -0.269667D+02 -0.398220D+01
      4  -0.698780D+01  0.156876D+02 -0.135679D+02  0.384461D+01  0.895650D+01
      5   0.838942D+01 -0.151998D+02  0.146418D+02  0.151577D+02  0.329741D+01
      6  -0.414381D+01  0.156643D+02 -0.142126D+02 -0.860278D+00  0.435497D+00
               156           157           158           159           160 
      1   0.104683D+02  0.306443D+02  0.947189D+01  0.550401D+01  0.135233D+02
      2  -0.747277D+01 -0.181932D+02 -0.555610D+01 -0.472096D+01 -0.968396D+01
      3  -0.299553D+01 -0.124511D+02 -0.391579D+01 -0.783048D+00 -0.383931D+01
      4   0.128557D+01  0.938941D+01  0.100253D+02  0.293186D+01  0.147619D+01
      5   0.115463D+02  0.790620D+01  0.417788D+01  0.485173D+01  0.145838D+02
      6  -0.137098D+01  0.459692D+00  0.390724D+00  0.201706D+01 -0.149633D+01
               161           162           163           164           165 
      1   0.370056D+01  0.808198D+01  0.108235D+02 -0.222332D+01 -0.515747D+01
      2  -0.347919D+01 -0.592097D+01 -0.546224D+01 -0.432925D+00  0.177227D+01
      3  -0.221361D+00 -0.216101D+01 -0.536125D+01  0.265624D+01  0.338520D+01
      4   0.354396D+01 -0.909884D+00 -0.592709D+01  0.641228D+01  0.715141D+01
      5   0.451544D+00  0.638928D+01 -0.727023D+01  0.610782D+01  0.923505D+01
      6   0.322880D+01  0.874030D-02  0.424925D+01 -0.274409D+01 -0.335654D+01
               166           167           168           169           170 
      1  -0.231764D+01 -0.130653D+00  0.191569D+01 -0.126815D+02  0.360566D+01
      2  -0.220518D+01  0.630277D+01  0.166051D+01  0.581233D+01  0.144766D+01
      3   0.452282D+01 -0.617211D+01 -0.357620D+01  0.686919D+01 -0.505332D+01
      4   0.120318D+02 -0.158421D+02 -0.911698D+01  0.149118D+02 -0.147865D+02
      5   0.731754D+01 -0.810025D+01 -0.124106D+02  0.165334D+02 -0.149616D+02
      6  -0.424899D+01  0.649635D+01  0.103239D+02 -0.772785D+01  0.114131D+02
               171           172           173           174           175 
      1   0.179333D+01 -0.548634D+01  0.211287D+01 -0.114478D+02  0.362143D+00
      2  -0.327978D+01 -0.297423D+00 -0.280041D+00  0.697918D-01  0.148401D+01
      3   0.148645D+01  0.578376D+01 -0.183283D+01  0.113780D+02 -0.184615D+01
      4  -0.153769D+02 -0.304425D+01 -0.502473D+00  0.794595D+00  0.263372D+01
      5  -0.288979D+02  0.137794D+01  0.298543D+01 -0.247522D+01  0.167962D+01
      6   0.157874D+02 -0.128842D+01  0.414915D+01 -0.651268D+01  0.163321D+01
               176           177           178           179           180 
      1  -0.455068D+01  0.784189D+01 -0.100277D+02  0.771404D+01 -0.242437D+02
      2   0.229598D+01 -0.218714D+01  0.203627D+01 -0.105985D+01 -0.820037D+01
      3   0.225469D+01 -0.565475D+01  0.799147D+01 -0.665418D+01  0.324441D+02
      4   0.354319D+01 -0.206427D+01 -0.132026D+01 -0.276964D+01  0.247071D+01
      5  -0.243104D+01  0.173073D+01  0.380677D+01  0.413401D+01 -0.166873D+02
      6  -0.571030D+01  0.842570D+01 -0.282003D+01  0.888295D+01 -0.154120D+02
               181           182           183           184           185 
      1   0.117612D+02  0.634144D+01 -0.550274D+00  0.846747D+01  0.211205D+01
      2  -0.146527D+01  0.365305D+01  0.968750D+00  0.573977D+01  0.199250D+02
      3  -0.102959D+02 -0.999450D+01 -0.418476D+00 -0.142072D+02 -0.220371D+02
      4   0.127071D+02  0.160002D+02  0.231847D+01  0.226534D+02  0.348567D+02
      5  -0.295297D+01  0.125286D+00  0.271980D+01 -0.159902D+01 -0.182040D+01
      6  -0.112595D+01 -0.286290D+01 -0.102991D+00 -0.457078D+01 -0.905722D+01
               186           187           188           189           190 
      1   0.276867D+01  0.461859D+01  0.363419D+01 -0.101486D+01  0.474596D+02
      2   0.179714D+01  0.687597D-01  0.358805D+01  0.207902D+01 -0.319197D+02
      3  -0.456580D+01 -0.468735D+01 -0.722224D+01 -0.106417D+01 -0.155399D+02
      4   0.122910D+01  0.823652D+01  0.889826D+01  0.342705D+01 -0.571970D+01
      5   0.558443D+01  0.160803D+01  0.305396D+01  0.369333D+01 -0.303280D+02
      6   0.468410D+01  0.191852D-01  0.236104D+01  0.135045D+01  0.313669D+01
               191           192           193           194           195 
      1  -0.105250D+02 -0.137068D+02 -0.221939D+02  0.933037D+01  0.684598D+01
      2   0.881230D+01  0.127057D+02  0.169548D+02 -0.488547D+01 -0.785608D+01
      3   0.171267D+01  0.100113D+01  0.523908D+01 -0.444490D+01  0.101009D+01
      4   0.980480D+01  0.230263D+01  0.109608D+02 -0.812289D+01 -0.287714D+01
      5   0.712290D+01  0.175065D+02  0.175175D+02 -0.697388D+01 -0.125799D+02
      6  -0.435947D+01 -0.141693D+01 -0.442891D+01  0.504741D+01  0.238557D+01
               196           197           198           199           200 
      1  -0.856075D+01  0.288057D+01  0.451403D+01 -0.568307D+01 -0.527139D+01
      2   0.985448D+01 -0.286914D+01 -0.846323D+01  0.203592D+01  0.152874D+01
      3  -0.129373D+01 -0.114311D-01  0.394921D+01  0.364715D+01  0.374265D+01
      4   0.308604D+01 -0.113872D+01 -0.279782D+01 -0.890380D+00  0.114863D+01
      5   0.148414D+02 -0.494060D+01 -0.123371D+02 -0.234670D+01  0.654453D+00
      6  -0.236125D+01  0.225333D+01  0.647845D+00 -0.200244D+01 -0.203067D+01
               201           202           203           204           205 
      1   0.837480D+01 -0.622917D+01 -0.441668D+01  0.760016D+01  0.756581D+01
      2   0.227664D+01  0.287242D+01  0.120232D+01  0.410436D+00 -0.144985D+01
      3  -0.106514D+02  0.335675D+01  0.321436D+01 -0.801060D+01 -0.611596D+01
      4   0.177214D+01  0.399358D+01 -0.341298D+01  0.469321D+01  0.804586D+00
      5  -0.338979D+01 -0.115291D+01  0.428081D+01 -0.517031D+01  0.322056D+01
      6   0.257884D+01 -0.516623D+00 -0.508555D+01  0.777799D+01  0.261788D+01
               206           207           208           209           210 
      1   0.887514D+01 -0.208402D+02  0.428404D+02 -0.166405D+02  0.495412D+00
      2  -0.710260D+00 -0.874913D+01 -0.176924D+02  0.389367D+01 -0.155355D+01
      3  -0.816488D+01  0.295894D+02 -0.251479D+02  0.127468D+02  0.105814D+01
      4   0.453896D+01 -0.494148D+01 -0.248173D+02  0.191139D+02  0.860940D-01
      5  -0.418877D+01  0.157783D+02  0.100176D+02 -0.324672D+01  0.687000D+01
      6   0.770475D+01 -0.982972D+01 -0.531728D+01  0.507093D+01 -0.125833D+01
               211           212           213           214           215 
      1  -0.225171D+02  0.129221D+02  0.146320D+01 -0.103825D+02  0.502827D+01
      2   0.588392D+01  0.179016D+00  0.135672D+01  0.382113D+01 -0.247750D+00
      3   0.166331D+02 -0.131011D+02 -0.281992D+01  0.656140D+01 -0.478052D+01
      4   0.248740D+02 -0.211609D+02  0.168647D+01  0.634212D+01 -0.426057D+01
      5  -0.540393D+01  0.502249D+01 -0.572311D+01  0.397703D+01 -0.271095D+01
      6   0.619465D+01 -0.479046D+01  0.369891D+01 -0.527312D+00  0.181892D+01
               216           217           218           219           220 
      1   0.205581D+01  0.171744D+02  0.664685D+01  0.606674D+01  0.134213D+02
      2  -0.810358D+00 -0.974300D+01 -0.496248D+01 -0.491042D+01 -0.890892D+01
      3  -0.124545D+01 -0.743136D+01 -0.168437D+01 -0.115632D+01 -0.451243D+01
      4  -0.388317D+01  0.974918D+01  0.126652D+02  0.591654D+01  0.181022D+02
      5  -0.260803D+01  0.124724D+02  0.820668D+01  0.844872D+01  0.154322D+02
      6   0.318484D-02  0.492650D+01  0.537266D+01  0.405185D+01  0.863495D+01
               221           222           223           224           225 
      1   0.753979D+01  0.441121D+01  0.390980D+01  0.263411D+01 -0.126744D+00
      2  -0.266059D+01 -0.633074D+01 -0.502297D+01 -0.388439D+01 -0.525666D+01
      3  -0.487920D+01  0.191954D+01  0.111317D+01  0.125028D+01  0.538341D+01
      4   0.213417D+02  0.949178D+01  0.641564D+01  0.613143D+01  0.691827D+01
      5   0.120380D+02  0.144417D+02  0.937680D+01  0.840853D+01  0.111110D+02
      6   0.126181D+02  0.846005D+01  0.508090D+01  0.655266D+01  0.532981D+01
               226           227           228           229           230 
      1  -0.730332D+00 -0.455672D+00  0.197235D+01 -0.102654D+01 -0.465154D+01
      2  -0.231057D+01 -0.151435D+01  0.215478D+01 -0.175878D+00 -0.341498D+01
      3   0.304090D+01  0.197002D+01 -0.412713D+01  0.120242D+01  0.806652D+01
      4   0.519632D+00  0.202643D+01  0.312951D+00  0.277040D+01 -0.243229D+01
      5  -0.137933D+01 -0.112624D+01  0.497618D+01 -0.241449D+01  0.273693D+01
      6  -0.126019D+01  0.218363D-01  0.809387D+00  0.234832D+00 -0.825182D+01
               231           232           233           234           235 
      1   0.847290D+01  0.836222D+00  0.593168D+01 -0.164549D+02  0.809203D+01
      2   0.777752D+01  0.754303D+00  0.567899D+01 -0.176355D+02 -0.599008D+01
      3  -0.162504D+02 -0.159052D+01 -0.116107D+02  0.340904D+02 -0.210195D+01
      4   0.309801D+01  0.756044D-01  0.174201D+01 -0.210509D+01  0.143221D+02
      5  -0.390319D+01  0.591190D+01 -0.108050D+01  0.626747D+01  0.183309D+02
      6   0.100910D+02  0.175034D+01  0.817600D+01 -0.719790D+01  0.109471D+02
               236           237           238           239           240 
      1   0.798434D+00 -0.134404D+00 -0.242751D-01 -0.519564D+01 -0.349215D+01
      2  -0.117712D+01 -0.500812D+01  0.761772D-01  0.557986D+01  0.160365D+00
      3   0.378684D+00  0.514253D+01 -0.519021D-01 -0.384217D+00  0.333178D+01
      4   0.120701D+02  0.883756D+01  0.125486D+02  0.136937D+02  0.877496D+01
      5   0.115500D+02  0.153606D+02  0.119263D+02  0.107440D+02  0.102027D+02
      6   0.977822D+01  0.101182D+02  0.108029D+02  0.149623D+02  0.129106D+02
               241           242           243 
      1  -0.190466D+01 -0.259159D+01 -0.463867D+01
      2  -0.304004D+01 -0.281978D+00 -0.511222D+01
      3   0.494470D+01  0.287357D+01  0.975088D+01
      4   0.592036D+01  0.514597D+01  0.630105D+01
      5   0.104806D+02  0.721640D+01  0.119174D+02
      6   0.777240D+01  0.910247D+01  0.989561D+01
 Leave Link  716 at Fri Jul 16 13:58:52 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125925D+03  0.304251D+00 -0.523016D+00
      2   0.304251D+00  0.115787D+03  0.712509D+00
      3  -0.523016D+00  0.712509D+00  0.106492D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.161112D+01  0.819879D+01 -0.127175D+02
      2  -0.795336D+01 -0.137043D+00 -0.363954D+01
      3   0.164311D+02 -0.444709D+01 -0.220241D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.897718D+00 -0.190824D+02  0.722023D+00
      2   0.843558D+01  0.297262D+02 -0.245605D+02
      3  -0.753786D+01 -0.106438D+02  0.238385D+02
      4   0.829583D+01  0.107986D+02  0.288689D+01
      5   0.134524D+02  0.204328D+01 -0.133810D+02
      6   0.191667D+01 -0.980831D+01  0.150334D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.429898D+01  0.357930D+01  0.685015D+00  0.367094D+01 -0.797455D+00
      2   0.357930D+01 -0.413787D+00  0.113314D+01 -0.797455D+00 -0.437909D+01
      3   0.685015D+00  0.113314D+01  0.229263D+01  0.145367D+01  0.116668D+01
                 6             7             8             9            10 
      1   0.145367D+01  0.219775D+01  0.234216D+01  0.135238D+01 -0.464370D+01
      2   0.116668D+01  0.234216D+01  0.214402D+01 -0.379552D+01 -0.490924D+01
      3  -0.383936D+01  0.135238D+01 -0.379552D+01 -0.162557D+01 -0.865154D-01
                11            12            13            14            15 
      1  -0.490924D+01 -0.865154D-01 -0.393807D+01  0.389051D+00  0.388154D+00
      2  -0.784398D+00  0.578282D+00  0.389051D+00  0.235789D+01 -0.163454D+01
      3   0.578282D+00  0.706994D+00  0.388154D+00 -0.163454D+01  0.279694D+01
                16            17            18            19            20 
      1  -0.199142D+01 -0.357713D-01 -0.645237D+00 -0.845302D+00 -0.168800D+01
      2  -0.357713D-01 -0.333401D+01  0.272491D+01 -0.168800D+01  0.221546D+01
      3  -0.645237D+00  0.272491D+01  0.427209D+01 -0.945824D+00  0.528369D+00
                21            22            23            24            25 
      1  -0.945824D+00 -0.535164D+01  0.217902D+01  0.389588D+00 -0.276955D+01
      2   0.528369D+00  0.217902D+01  0.491072D+01  0.217282D+01  0.625259D+00
      3  -0.587659D+00  0.389588D+00  0.217282D+01  0.794564D+00 -0.103718D+01
                26            27            28            29            30 
      1   0.625259D+00 -0.103718D+01 -0.255626D+00 -0.225101D+01 -0.105457D+01
      2   0.260004D+01  0.184401D+01 -0.225101D+01 -0.365807D+00 -0.132357D+00
      3   0.184401D+01  0.105765D+01 -0.105457D+01 -0.132357D+00 -0.107494D+00
                31            32            33            34            35 
      1  -0.539248D+00 -0.600421D+00 -0.876192D-01 -0.530524D+00 -0.337190D+00
      2  -0.600421D+00 -0.121227D+02 -0.370650D+01 -0.337190D+00 -0.376630D+01
      3  -0.876192D-01 -0.370650D+01 -0.238356D+01  0.189570D+00 -0.394914D+01
                36            37            38            39            40 
      1   0.189570D+00 -0.322542D+01  0.817503D+00  0.534658D+00  0.248140D+01
      2  -0.394914D+01  0.817503D+00 -0.232437D+01 -0.264479D+01 -0.385967D+01
      3  -0.392719D+01  0.534658D+00 -0.264479D+01  0.255718D+01 -0.428547D+01
                41            42            43            44            45 
      1  -0.385967D+01 -0.428547D+01  0.109485D+01 -0.386323D+01  0.357508D+01
      2  -0.145505D+01 -0.104192D+01 -0.386323D+01 -0.192557D+01  0.172734D+00
      3  -0.104192D+01  0.103472D+01  0.357508D+01  0.172734D+00 -0.399684D+00
                46            47            48            49            50 
      1   0.146623D+01  0.549525D+00 -0.187682D+01  0.444165D+00  0.337835D+01
      2   0.549525D+00  0.220164D+01  0.416174D+01  0.337835D+01  0.620103D+00
      3  -0.187682D+01  0.416174D+01 -0.568494D+00  0.497229D+01 -0.398168D-01
                51            52            53            54            55 
      1   0.497229D+01 -0.142321D+01  0.477833D+01  0.131542D+00  0.192765D+00
      2  -0.398168D-01  0.477833D+01  0.832852D+00 -0.219517D+01  0.177946D+00
      3  -0.104470D+01  0.131542D+00 -0.219517D+01 -0.323961D+00  0.112315D+01
                56            57            58            59            60 
      1   0.177946D+00  0.112315D+01  0.102179D+01 -0.230220D+01 -0.278709D+01
      2  -0.228831D+01 -0.325253D+01 -0.230220D+01 -0.360957D+01 -0.114730D+01
      3  -0.325253D+01  0.179568D+01 -0.278709D+01 -0.114730D+01  0.235262D+00
                61            62            63            64            65 
      1   0.959575D+00 -0.346740D+01  0.245445D+01 -0.272628D+01 -0.381588D+01
      2  -0.346740D+01 -0.173686D+01 -0.995905D+00 -0.381588D+01  0.243096D+00
      3   0.245445D+01 -0.995905D+00  0.459961D+00 -0.817362D+00 -0.151171D+01
                66            67            68            69            70 
      1  -0.817362D+00 -0.396078D+01 -0.953674D+00 -0.163834D+01 -0.412358D+00
      2  -0.151171D+01 -0.953674D+00  0.272924D+01 -0.178742D+01 -0.189948D+01
      3  -0.131921D+01 -0.163834D+01 -0.178742D+01  0.422503D+01 -0.222100D+01
                71            72            73            74            75 
      1  -0.189948D+01 -0.222100D+01  0.528002D+00  0.286953D+00 -0.906314D+00
      2  -0.187941D+01  0.436575D+01  0.286953D+00 -0.131935D+00 -0.307730D-01
      3   0.436575D+01  0.183387D+01 -0.906314D+00 -0.307730D-01 -0.358106D+00
                76            77            78            79            80 
      1  -0.635725D-01  0.247874D+00  0.354808D+00 -0.134644D+01  0.566202D-01
      2   0.247874D+00 -0.699300D+00 -0.839524D+00  0.566202D-01 -0.992421D+00
      3   0.354808D+00 -0.839524D+00 -0.198783D+01  0.117716D+01 -0.435823D+00
                81            82            83            84            85 
      1   0.117716D+01  0.891832D+01  0.362821D+01 -0.123286D+01  0.278248D+01
      2  -0.435823D+00  0.362821D+01  0.291210D+01 -0.761901D+00  0.192321D+01
      3  -0.809851D+01 -0.123286D+01 -0.761901D+00  0.108422D+01 -0.497369D+00
                86            87            88            89            90 
      1   0.192321D+01 -0.497369D+00  0.708691D+00  0.245871D+00  0.101417D+01
      2   0.203719D+01 -0.209443D+00  0.245871D+00  0.769518D+00  0.289165D+00
      3  -0.209443D+00  0.283019D+00  0.101417D+01  0.289165D+00 -0.588107D+00
                91            92            93            94            95 
      1   0.311386D+01 -0.183066D+01 -0.153999D+01 -0.324467D+01  0.344900D+01
      2  -0.183066D+01  0.197472D+01  0.317652D+01  0.344900D+01  0.325547D+01
      3  -0.153999D+01  0.317652D+01 -0.309051D+01  0.418940D+01  0.986988D+00
                96            97            98            99           100 
      1   0.418940D+01 -0.260658D+00  0.338065D+01 -0.336595D+01  0.277252D+01
      2   0.986988D+00  0.338065D+01  0.212040D+01  0.401788D-01 -0.171248D+01
      3  -0.109698D+01 -0.336595D+01  0.401788D-01 -0.166698D+01 -0.294341D+00
               101           102           103           104           105 
      1  -0.171248D+01 -0.294341D+00 -0.161662D+01  0.436250D+01  0.318837D+01
      2   0.299506D+01  0.252405D+01  0.436250D+01  0.114409D+01  0.199124D+01
      3   0.252405D+01 -0.351983D+01  0.318837D+01  0.199124D+01 -0.402884D+00
               106           107           108           109           110 
      1  -0.144668D+01  0.356707D+01 -0.330487D+01 -0.828416D+00 -0.314331D+01
      2   0.356707D+01  0.128946D+01 -0.465677D+00 -0.314331D+01 -0.167982D+01
      3  -0.330487D+01 -0.465677D+00  0.134522D+01 -0.103715D+00 -0.426857D+01
               111           112           113           114           115 
      1  -0.103715D+00 -0.325083D+01 -0.181487D+01 -0.413746D+01  0.577802D+00
      2  -0.426857D+01 -0.181487D+01  0.413690D+00 -0.227985D+01 -0.397261D+01
      3  -0.647804D+00 -0.413746D+01 -0.227985D+01  0.315441D+01 -0.106523D+01
               116           117           118           119           120 
      1  -0.397261D+01 -0.106523D+01 -0.409012D+01  0.206146D+01  0.226060D+01
      2  -0.104750D+01  0.365688D+01  0.206146D+01 -0.250970D+01 -0.168410D+01
      3   0.365688D+01 -0.123738D+01  0.226060D+01 -0.168410D+01 -0.189381D+01
               121           122           123           124           125 
      1   0.170463D+01 -0.236377D+01 -0.166721D+01  0.198242D+01 -0.180688D+01
      2  -0.236377D+01  0.395593D+01  0.196954D+01 -0.180688D+01  0.208767D+01
      3  -0.166721D+01  0.196954D+01  0.196660D+01 -0.208776D+01  0.240312D+01
               126           127           128           129           130 
      1  -0.208776D+01  0.148214D+01  0.185684D+01  0.118601D+00  0.155386D+01
      2   0.240312D+01  0.185684D+01  0.302499D+01  0.606940D+00  0.219122D+01
      3   0.347139D+01  0.118601D+00  0.606940D+00  0.239891D+00  0.386499D+00
               131           132           133           134           135 
      1   0.219122D+01  0.386499D+00  0.582400D+00  0.988094D+00  0.210823D+00
      2   0.943140D+01  0.120762D+01  0.988094D+00  0.298079D+01  0.154173D+01
      3   0.120762D+01  0.103875D+01  0.210823D+00  0.154173D+01  0.903167D+00
               136           137           138           139           140 
      1  -0.286278D+01  0.118317D+01 -0.175765D+01  0.590185D+00 -0.103022D+01
      2   0.118317D+01 -0.187391D+01  0.151970D+01 -0.103022D+01  0.274158D+01
      3  -0.175765D+01  0.151970D+01 -0.200348D+01  0.848338D+00 -0.139631D+01
               141           142           143           144           145 
      1   0.848338D+00 -0.204374D+01  0.126552D+01 -0.191942D+01  0.537526D-01
      2  -0.139631D+01  0.126552D+01 -0.221861D+01  0.221187D+01 -0.333116D+00
      3   0.130208D+01 -0.191942D+01  0.221187D+01 -0.374604D+01  0.651212D+00
               146           147           148           149           150 
      1  -0.333116D+00  0.651212D+00 -0.112441D+01  0.151798D+01 -0.462560D+00
      2  -0.378772D+00  0.209754D+00  0.151798D+01 -0.554848D+01  0.276298D+01
      3   0.209754D+00 -0.151515D+00 -0.462560D+00  0.276298D+01 -0.265764D+01
               151           152           153           154           155 
      1   0.156428D+01 -0.839717D+00  0.102648D+01  0.849007D+01  0.160301D+01
      2  -0.839717D+00  0.333761D+01 -0.295753D+01  0.160301D+01  0.121901D+01
      3   0.102648D+01 -0.295753D+01  0.294685D+01  0.150653D+01  0.373238D+00
               156           157           158           159           160 
      1   0.150653D+01  0.450214D+01  0.145883D+01  0.835301D+00  0.192359D+01
      2   0.373238D+00  0.145883D+01  0.146047D+01  0.531638D+00  0.448452D+00
      3   0.123533D+01  0.835301D+00  0.531638D+00  0.477324D+00  0.171231D+01
               161           162           163           164           165 
      1   0.448452D+00  0.171231D+01  0.171653D+01 -0.569071D+00 -0.119313D+01
      2   0.625658D+00 -0.146033D+00 -0.569071D+00  0.657935D+00  0.824986D+00
      3  -0.146033D+00  0.721190D+00 -0.119313D+01  0.824986D+00  0.106410D+01
               166           167           168           169           170 
      1  -0.110811D+01  0.153365D+01  0.106620D+01 -0.316085D+01  0.192313D+01
      2   0.153365D+01 -0.263984D+01 -0.141529D+01  0.192313D+01 -0.234135D+01
      3   0.106620D+01 -0.141529D+01 -0.210240D+01  0.232865D+01 -0.257958D+01
               171           172           173           174           175 
      1   0.232865D+01  0.156779D+01  0.256867D+00  0.112416D+01  0.145720D+00
      2  -0.257958D+01  0.256867D+00  0.681868D+00 -0.929870D+00 -0.243423D-01
      3  -0.486985D+01  0.112416D+01 -0.929870D+00  0.236413D+01 -0.564315D+00
               176           177           178           179           180 
      1  -0.243423D-01 -0.564315D+00  0.156750D+01 -0.251343D+00  0.102073D+01
      2  -0.120451D+01  0.112057D+01 -0.251343D+00  0.116973D+01 -0.160220D+01
      3   0.112057D+01 -0.116238D+01  0.102073D+01 -0.160220D+01  0.631801D+01
               181           182           183           184           185 
      1  -0.239158D+01 -0.170589D+01 -0.231550D-01 -0.273218D+01 -0.337460D+01
      2  -0.170589D+01 -0.207854D+01 -0.387130D+00 -0.337460D+01 -0.639229D+01
      3  -0.231550D-01 -0.387130D+00 -0.661508D-01 -0.150575D+00 -0.122349D+00
               186           187           188           189           190 
      1  -0.150575D+00 -0.136289D+01 -0.120818D+01 -0.934341D-01 -0.764094D+01
      2  -0.122349D+00 -0.120818D+01 -0.162160D+01 -0.713041D+00  0.162574D+01
      3  -0.115998D+01 -0.934341D-01 -0.713041D+00 -0.594686D+00  0.270866D+01
               191           192           193           194           195 
      1   0.162574D+01  0.270866D+01  0.415814D+01 -0.203986D+01 -0.196477D+01
      2  -0.155207D+01 -0.691967D+00 -0.203986D+01  0.138206D+01  0.660878D+00
      3  -0.691967D+00 -0.174116D+01 -0.196477D+01  0.660878D+00  0.170267D+01
               196           197           198           199           200 
      1   0.161320D+01 -0.773514D+00 -0.142783D+01  0.149372D+01  0.857011D+00
      2  -0.773514D+00  0.177784D+00  0.540294D+00  0.857011D+00  0.529718D+00
      3  -0.142783D+01  0.540294D+00  0.171638D+01 -0.699188D+00 -0.757118D+00
               201           202           203           204           205 
      1  -0.699188D+00  0.111501D+01  0.750005D-01 -0.327539D+00 -0.113747D+01
      2  -0.757118D+00  0.750005D-01  0.124726D+01 -0.141423D+01 -0.648235D+00
      3   0.231847D+01 -0.327539D+00 -0.141423D+01  0.171980D+01  0.758102D+00
               206           207           208           209           210 
      1  -0.648235D+00  0.758102D+00 -0.686271D+01  0.294343D+01 -0.320311D+00
      2  -0.150457D+01  0.174749D+01  0.294343D+01 -0.244758D+01 -0.913445D-01
      3   0.174749D+01 -0.570935D+01 -0.320311D+00 -0.913445D-01 -0.761450D+00
               211           212           213           214           215 
      1   0.411259D+01 -0.323927D+01  0.265988D-01  0.187181D+01 -0.964467D+00
      2  -0.323927D+01  0.299475D+01 -0.369202D+00 -0.964467D+00  0.584192D+00
      3   0.265988D-01 -0.369202D+00  0.935001D+00 -0.489886D+00  0.546444D+00
               216           217           218           219           220 
      1  -0.489886D+00 -0.322796D+01 -0.158923D+01 -0.132563D+01 -0.341609D+01
      2   0.546444D+00 -0.158923D+01 -0.182078D+01 -0.106402D+01 -0.277956D+01
      3   0.375759D+00 -0.132563D+01 -0.106402D+01 -0.814471D+00 -0.207645D+01
               221           222           223           224           225 
      1  -0.277956D+01 -0.207645D+01 -0.108971D+01 -0.114382D+01 -0.105037D+01
      2  -0.387591D+01 -0.176424D+01 -0.114382D+01 -0.119227D+01 -0.122092D+01
      3  -0.176424D+01 -0.226469D+01 -0.105037D+01 -0.122092D+01 -0.191331D+01
               226           227           228           229           230 
      1  -0.999339D+00 -0.403566D+00  0.997988D+00 -0.736882D+00  0.252847D-01
      2  -0.403566D+00 -0.156500D+00  0.632339D+00  0.252847D-01 -0.230472D+01
      3   0.997988D+00  0.632339D+00 -0.549493D+00  0.475034D+00  0.238121D+01
               231           232           233           234           235 
      1   0.475034D+00  0.104466D+01  0.383748D+00 -0.130776D+00  0.450549D+01
      2   0.238121D+01  0.383748D+00  0.152461D+01 -0.226462D+01  0.252449D+01
      3  -0.354284D+01 -0.130776D+00 -0.226462D+01  0.634182D+01  0.246679D+01
               236           237           238           239           240 
      1   0.252449D+01  0.246679D+01  0.280007D+01  0.244894D+01  0.207252D+01
      2   0.215071D+01  0.193912D+01  0.244894D+01  0.354961D+01  0.221576D+01
      3   0.193912D+01  0.252201D+01  0.207252D+01  0.221576D+01  0.197909D+01
               241           242           243 
      1   0.128700D+01  0.120695D+01  0.188750D+01
      2   0.120695D+01  0.131617D+01  0.123658D+01
      3   0.188750D+01  0.123658D+01  0.293726D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.589793D+00  0.283627D+01  0.453383D+00  0.623645D+00  0.226972D+01
      2  -0.306279D+01 -0.490689D-01  0.124640D+02  0.204226D+01  0.236343D+01
      3  -0.576571D+01 -0.706264D+01  0.842819D-01  0.377220D+01  0.628262D+01
                 6             7             8             9            10 
      1  -0.474257D+01  0.174293D+01  0.209049D+01 -0.448511D+00  0.582423D+01
      2  -0.664234D+01 -0.557399D+00 -0.100888D+02 -0.426725D+01 -0.162382D+01
      3  -0.227179D+01 -0.425353D+01 -0.755628D+01  0.511140D+01  0.932642D+01
                11            12            13            14            15 
      1  -0.169985D+01 -0.174509D+01 -0.153851D+01  0.150678D+01 -0.142568D+01
      2  -0.267513D+00  0.316729D+01 -0.425322D+01 -0.167234D+01  0.635947D+01
      3  -0.467806D+01 -0.162897D+01 -0.263701D+01 -0.375876D+01  0.337610D+01
                16            17            18            19            20 
      1  -0.881873D+00  0.444266D+01 -0.877082D+01 -0.129738D+00 -0.146310D+01
      2  -0.416010D+01  0.841414D+01  0.112040D+02  0.244756D+01  0.383387D+01
      3  -0.421539D+00  0.869281D+01 -0.500847D+01  0.268886D+01  0.956532D+00
                21            22            23            24            25 
      1  -0.155147D+01  0.115012D+01 -0.733236D+01  0.639097D+01 -0.797558D+00
      2  -0.714112D+01  0.992095D+01 -0.128255D+01  0.307058D+01 -0.199016D+02
      3  -0.288043D+01  0.705872D+01 -0.401067D+01  0.757734D+00 -0.840711D+01
                26            27            28            29            30 
      1   0.989938D+01  0.917601D+01 -0.270384D+00  0.761256D+00 -0.201015D+00
      2   0.364830D+01  0.210421D+01 -0.141586D+01 -0.160540D+01  0.340765D+01
      3   0.451314D+00 -0.102799D+01 -0.164723D+00  0.592053D+00  0.202835D+01
                31            32            33            34            35 
      1  -0.409199D+00  0.411166D+01 -0.103396D+02 -0.107722D+00 -0.331700D+00
      2  -0.919731D+01  0.230596D+00  0.176218D+01  0.724019D+00  0.561644D-01
      3   0.126367D+02  0.300077D+01  0.144884D+01  0.946644D+01  0.973620D+00
                36            37            38            39            40 
      1  -0.710866D+01  0.897663D+00 -0.247289D+01  0.310662D+01 -0.785306D+00
      2   0.606537D+00  0.142890D+01  0.314708D+01  0.130183D+01  0.727903D+01
      3   0.110893D+01 -0.147871D+01 -0.122361D+02 -0.483292D+01 -0.203178D+01
                41            42            43            44            45 
      1  -0.160234D+01 -0.652660D+01  0.214844D+01  0.309545D+01 -0.340649D+00
      2   0.424799D+01 -0.499691D+01 -0.931505D+01  0.611896D+00 -0.192894D+01
      3  -0.105889D+01 -0.468607D+01 -0.736462D+01 -0.185725D+01  0.568372D+00
                46            47            48            49            50 
      1   0.397954D+01 -0.493015D+01  0.564791D+01 -0.576356D+01  0.345339D+00
      2   0.190506D+01 -0.197869D+01  0.532575D+01 -0.480110D+01 -0.122238D+01
      3  -0.262572D+01 -0.202572D+01 -0.641101D+00  0.503090D+01  0.489984D+01
                51            52            53            54            55 
      1   0.108391D-01  0.587038D+01  0.790265D+01 -0.659976D+00 -0.488412D+01
      2  -0.356210D+01 -0.206938D+01 -0.505085D+01 -0.318842D+00 -0.983550D+00
      3   0.628261D+01  0.714852D+00  0.608984D+01 -0.204732D+01  0.693926D+00
                56            57            58            59            60 
      1   0.119951D+02 -0.500983D+01  0.110450D+02  0.583892D+01 -0.250755D+01
      2   0.413135D+00  0.298572D+01  0.761403D+00 -0.126767D+01 -0.181589D+01
      3  -0.180380D+01  0.332638D+01  0.655766D+01 -0.611696D+01 -0.906972D+01
                61            62            63            64            65 
      1  -0.672520D+01  0.551241D+01 -0.233423D+01 -0.644152D+00 -0.261174D+01
      2  -0.683174D+00 -0.239092D+01  0.249194D+01 -0.737445D+00 -0.399009D+01
      3   0.342399D+01 -0.110488D+02  0.828140D+01  0.149809D+02  0.200003D+01
                66            67            68            69            70 
      1  -0.182740D+01 -0.259030D+01 -0.213874D+01  0.436003D+01 -0.560343D+01
      2  -0.147969D+01 -0.561798D+01 -0.475644D+01  0.124249D+02 -0.100940D+02
      3   0.583546D+01  0.111021D+02 -0.830009D+01  0.768279D+01  0.605467D+01
                71            72            73            74            75 
      1   0.892929D+01  0.319275D+01  0.692879D+00  0.707872D+00  0.534363D+00
      2   0.135030D+02  0.558664D+01 -0.214575D+01 -0.183614D+00 -0.126816D+01
      3   0.725716D+01 -0.108965D+02 -0.759919D+00 -0.143475D+00 -0.668909D+00
                76            77            78            79            80 
      1  -0.103437D+00  0.288856D+01  0.194996D+01 -0.139918D+01  0.504485D+01
      2  -0.538011D+00 -0.158516D+01 -0.371073D+01 -0.270212D+01 -0.940487D+00
      3   0.415577D+00  0.196321D+01  0.120449D+01 -0.109199D+01  0.204924D+01
                81            82            83            84            85 
      1   0.972963D+01 -0.172471D+01 -0.216524D+01 -0.149894D+01 -0.142762D+01
      2  -0.137862D+02  0.518180D+01 -0.511473D+00  0.410097D+01  0.271009D+01
      3   0.193197D+01  0.292454D+01 -0.600833D+01  0.785075D+00  0.147026D+01
                86            87            88            89            90 
      1  -0.159446D+01 -0.132091D+01 -0.785238D+00 -0.298468D+00  0.457554D+00
      2   0.130479D+01  0.504137D+00  0.697204D+00 -0.730724D+00 -0.621739D+00
      3  -0.242390D+01 -0.507509D+00  0.318802D-01 -0.207369D+01  0.317428D+00
                91            92            93            94            95 
      1  -0.348693D+01  0.663210D+01  0.196867D+00  0.847526D+01  0.778028D+01
      2   0.407307D+00 -0.624373D+01  0.114520D+02 -0.956657D+01 -0.694617D+01
      3  -0.667841D+01  0.436849D+01  0.963240D+01  0.109864D+02  0.661902D+01
                96            97            98            99           100 
      1  -0.452561D+00  0.139834D+01  0.493366D+01 -0.389250D+01  0.929327D+00
      2  -0.104618D+01  0.793055D+01 -0.494807D+01  0.115745D+02  0.373354D+01
      3   0.956370D+00  0.104381D+02  0.182298D+01  0.310791D+01 -0.286444D+01
               101           102           103           104           105 
      1  -0.402766D+01 -0.431597D+01 -0.693503D+01 -0.222711D+01 -0.555478D+01
      2  -0.835392D+01  0.111118D+02 -0.884136D+01 -0.200549D+01  0.568710D+01
      3   0.599362D+01  0.713009D+01  0.142258D+02  0.369844D+01  0.712160D+01
               106           107           108           109           110 
      1  -0.518189D+01 -0.132942D+01  0.277891D+00 -0.673614D+01  0.148725D+00
      2   0.649260D+01  0.527379D+01 -0.891787D+01 -0.379127D+01 -0.335376D+00
      3   0.108687D+02  0.439251D+01 -0.235353D+01  0.340868D+01 -0.437378D+01
               111           112           113           114           115 
      1  -0.833713D+01 -0.774731D+00 -0.780176D+00 -0.105056D+02 -0.672243D+01
      2  -0.866256D+00  0.126469D+01 -0.222431D+01  0.106942D+02 -0.515956D+01
      3   0.267123D+01  0.103293D+01 -0.377349D+01  0.142720D-01  0.401579D+01
               116           117           118           119           120 
      1  -0.289617D+01  0.630879D+01 -0.157821D+01 -0.795093D+00  0.220928D+01
      2   0.108211D+02 -0.228517D+01  0.331365D+01 -0.969937D+00  0.105674D+01
      3  -0.530731D+00 -0.407911D+01 -0.591722D+01 -0.116594D+01  0.213977D+01
               121           122           123           124           125 
      1   0.468744D+00  0.142512D+01 -0.300625D+01  0.134118D+01  0.236525D+00
      2  -0.108272D+01  0.906670D+00 -0.100829D+01 -0.293303D+01  0.350424D+00
      3   0.309398D+01  0.547936D-01 -0.117529D+01  0.302113D+01  0.358146D-01
               126           127           128           129           130 
      1  -0.382361D+01 -0.826852D+00 -0.351510D+01 -0.160756D+01 -0.223353D+01
      2  -0.991616D+00  0.515349D+00  0.552855D+00  0.145635D+01  0.459755D+00
      3  -0.133224D+01  0.417660D+01  0.232308D+01  0.331916D+00  0.598177D+01
               131           132           133           134           135 
      1  -0.712771D+01 -0.623352D+01 -0.507585D+00 -0.390361D+01 -0.401835D+01
      2   0.113880D+01  0.113851D+01 -0.235002D+00  0.690914D+00 -0.140110D+00
      3   0.299816D+01  0.912497D+00  0.217532D+01  0.172427D+01 -0.127451D+00
               136           137           138           139           140 
      1   0.504873D+01 -0.195559D+01  0.595811D+01 -0.134969D+01  0.199653D+01
      2  -0.372544D+01  0.505124D+00 -0.912398D+00  0.659348D+00 -0.118288D+01
      3  -0.999745D+01  0.134615D+01 -0.478434D+01  0.261448D+01 -0.220939D+01
               141           142           143           144           145 
      1  -0.325339D+01  0.536077D+01 -0.203491D+01  0.973274D+01  0.717834D+00
      2   0.138902D+00 -0.484064D+01  0.104888D+01 -0.168828D+01  0.183477D+01
      3   0.270188D+01 -0.732481D+01  0.334620D+01 -0.568961D+01  0.110585D+01
               146           147           148           149           150 
      1   0.126635D-01 -0.411757D+00 -0.399925D+00  0.178465D+01 -0.530512D+01
      2   0.193006D+00 -0.894701D-01  0.766279D-02  0.737884D+01 -0.788776D+01
      3   0.494327D+00 -0.142510D+01 -0.317334D+00  0.143523D+02 -0.773845D+01
               151           152           153           154           155 
      1   0.800244D+00 -0.169725D+01  0.438896D+01  0.197746D+01  0.136816D+01
      2   0.197463D+00 -0.791826D+01  0.815056D+01  0.235433D+01  0.880833D+00
      3  -0.971266D+00 -0.920895D+01  0.764489D+01 -0.125940D+02 -0.836738D+01
               156           157           158           159           160 
      1   0.930847D+00  0.117446D+01  0.131480D+01 -0.412614D+00  0.172979D+01
      2   0.559764D+01  0.167433D+01  0.116501D+01  0.228441D+01  0.292174D+01
      3  -0.289442D+01 -0.676657D+01 -0.723767D+01 -0.230713D+01 -0.351112D+01
               161           162           163           164           165 
      1   0.937634D+00  0.490804D+00 -0.175587D+01  0.110662D+01  0.193574D+01
      2  -0.495743D+00  0.211182D+01 -0.368495D+01  0.284673D+01  0.421973D+01
      3  -0.307295D+01 -0.113583D+01  0.384370D+00 -0.197039D+01 -0.855497D+00
               166           167           168           169           170 
      1   0.171029D+01 -0.149931D+01 -0.460062D+01  0.332246D+01 -0.180697D+01
      2   0.250306D+01 -0.419371D+01 -0.697252D+01  0.418755D+01 -0.748211D+01
      3  -0.111140D+01  0.607698D+01  0.298583D+01 -0.542639D+00  0.573587D+01
               171           172           173           174           175 
      1  -0.796621D+01  0.266383D+01  0.120585D+01  0.181222D+01 -0.364510D+00
      2  -0.150014D+02 -0.870669D+01  0.992519D+00 -0.719001D+01  0.159656D+01
      3   0.539490D+01 -0.325526D+01  0.413503D+00 -0.357020D+01  0.100658D+01
               176           177           178           179           180 
      1  -0.100283D+01 -0.620297D+00  0.135393D+01  0.232171D+01  0.481506D+01
      2  -0.253619D+01  0.318685D+01 -0.919840D+01  0.359346D+01 -0.164869D+02
      3  -0.241733D+01  0.280559D+01 -0.363515D+01  0.245840D+01 -0.539327D+01
               181           182           183           184           185 
      1  -0.275473D+01 -0.339303D+01 -0.113957D+01 -0.458660D+01 -0.910847D+01
      2   0.286059D+01  0.293894D+01  0.107686D+01  0.352520D+01  0.482410D+01
      3  -0.156297D+01 -0.461145D+01 -0.777562D+00 -0.293034D+01 -0.137309D+02
               186           187           188           189           190 
      1  -0.450868D+01 -0.963183D+00 -0.221361D+01 -0.283218D+01  0.401842D+01
      2   0.448511D+01 -0.495242D-02  0.287025D+01  0.216391D+01  0.220793D+01
      3  -0.621697D+00 -0.634138D+00 -0.349701D+01 -0.215249D+01  0.791996D+01
               191           192           193           194           195 
      1  -0.390807D+01 -0.156269D+01 -0.353147D+01  0.286304D+01  0.337645D+00
      2  -0.574973D+00  0.365760D+01  0.337583D+00  0.646373D+00 -0.378267D+01
      3  -0.750758D+01 -0.321287D+01 -0.494041D+01  0.560696D+01  0.168837D+01
               196           197           198           199           200 
      1  -0.229730D+01  0.162851D+01  0.202230D+01 -0.203579D+01 -0.220515D+01
      2  -0.342330D+00 -0.155992D+00 -0.296479D+01  0.692703D+01  0.397625D+01
      3  -0.322398D+01  0.187087D+01  0.215725D+01  0.330810D+01  0.144734D+01
               201           202           203           204           205 
      1   0.599764D+00 -0.122296D+01 -0.272274D+01  0.683802D+00  0.139333D+01
      2  -0.627144D+01  0.423417D+01  0.450741D+01 -0.524316D+01 -0.742989D+01
      3  -0.233451D+01  0.240639D+01  0.371130D+01 -0.373684D+01 -0.305768D+01
               206           207           208           209           210 
      1   0.426085D+01 -0.741061D+00 -0.322643D+01  0.317104D+01  0.182847D+01
      2  -0.600873D+01  0.149990D+02 -0.504643D+01  0.330958D+01  0.407683D+01
      3  -0.374955D+01  0.479628D+01  0.466221D+01 -0.739838D+01 -0.430770D+00
               211           212           213           214           215 
      1   0.365682D+01 -0.335902D+01 -0.171650D+01  0.998164D+00  0.121334D+00
      2   0.362215D+01 -0.174805D+01 -0.429030D+01  0.652489D+00 -0.156115D+01
      3  -0.514437D+01  0.802980D+01 -0.927280D+00 -0.195168D+01  0.184849D+01
               216           217           218           219           220 
      1  -0.135147D+01  0.293883D+01  0.331380D+01  0.122342D+01  0.376734D+01
      2  -0.206120D+01 -0.400921D+00  0.615292D+00  0.172076D+01  0.319255D+00
      3   0.118354D+01 -0.460601D+01 -0.612680D+01 -0.319923D+01 -0.475049D+01
               221           222           223           224           225 
      1   0.749903D+01  0.598602D+00  0.218150D+01  0.322899D+01  0.149298D+01
      2   0.151749D+01  0.459647D+01 -0.164491D+00  0.127930D+01  0.378433D+01
      3  -0.121800D+02 -0.441865D+01 -0.312894D+01 -0.404697D+01 -0.329298D+01
               226           227           228           229           230 
      1  -0.174647D+01 -0.196155D+01  0.190086D+01 -0.431796D+00 -0.672977D+01
      2   0.472864D+01  0.239778D+01 -0.174615D+01  0.462756D+01  0.282820D+01
      3   0.585713D+00 -0.511800D-01 -0.173822D+00  0.233409D+01  0.270866D+01
               231           232           233           234           235 
      1   0.481773D+01  0.132253D+01  0.726575D+01 -0.699380D+01  0.270156D+01
      2  -0.541297D+01 -0.522856D+01 -0.359061D+01  0.629006D+01 -0.478604D+01
      3  -0.222512D+01 -0.877216D+00 -0.102531D+01  0.251543D+01  0.195352D+01
               236           237           238           239           240 
      1   0.384470D+01  0.870556D+00  0.264102D+01  0.524437D+01  0.637708D+00
      2  -0.118301D+01  0.203078D+01 -0.364679D+01 -0.436364D+00  0.389874D-01
      3  -0.229799D+01 -0.121696D-01  0.186350D+01 -0.263292D+01 -0.515697D+00
               241           242           243 
      1   0.115957D+01  0.255387D+01 -0.445569D+00
      2  -0.174427D+01 -0.950918D+00  0.655212D+00
      3   0.186498D+00 -0.108191D+01  0.417085D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.160121D+02  0.707544D+01 -0.166019D+01  0.129477D+02  0.225204D+00
      2  -0.100558D+02 -0.445017D+01 -0.273350D+01 -0.807943D+01  0.579018D+01
      3  -0.595633D+01 -0.262527D+01  0.439369D+01 -0.486825D+01 -0.601539D+01
      4   0.125734D+02  0.400176D+01  0.132954D+01  0.229911D+01 -0.440842D+01
      5  -0.180436D+01  0.369116D+01  0.104668D+02  0.736982D+01  0.867877D+01
      6  -0.118389D+01  0.105862D+01  0.620616D+01  0.445490D+01  0.701785D+01
                 6             7             8             9            10 
      1   0.386380D+01  0.348115D+01  0.652968D+01  0.735291D+01 -0.202594D+02
      2   0.238418D-01 -0.192605D+01 -0.133116D+00 -0.209303D+01  0.282120D+01
      3  -0.388764D+01 -0.155510D+01 -0.639656D+01 -0.525988D+01  0.174382D+02
      4   0.518387D+01  0.499687D+01  0.746105D+01 -0.125210D+02 -0.263074D+02
      5  -0.660178D+01  0.662196D+01 -0.129891D+02 -0.173724D+01  0.918177D+01
      6  -0.138673D+01 -0.418755D+01 -0.311471D+01 -0.125740D+01  0.757456D+01
                11            12            13            14            15 
      1  -0.175274D+02  0.119674D+01 -0.183540D+02 -0.514879D+01  0.780161D+01
      2   0.132085D+02  0.240457D+01  0.112626D+02 -0.147524D+01  0.881886D+00
      3   0.431890D+01 -0.360131D+01  0.709137D+01  0.662403D+01 -0.868349D+01
      4  -0.129838D+02  0.309620D+01 -0.120320D+02  0.327239D+01 -0.432805D+01
      5   0.964597D+01  0.173287D+01  0.619061D+01 -0.652880D+01  0.778104D+01
      6   0.664735D+01 -0.157516D+01  0.679889D+00 -0.661891D+01  0.508658D+01
                16            17            18            19            20 
      1  -0.584275D+01  0.412706D+01  0.588590D+01 -0.199876D+02 -0.575181D+00
      2   0.314578D+01  0.350857D+00  0.142724D+02  0.125623D+02 -0.222500D+01
      3   0.269698D+01 -0.447792D+01 -0.201583D+02  0.742534D+01  0.280018D+01
      4  -0.248487D+01 -0.604776D+01  0.831818D+01 -0.213480D+01 -0.443095D+01
      5   0.152769D+01  0.103618D+02  0.909674D+01  0.137511D+01 -0.146861D+01
      6   0.296532D+01  0.847084D+01 -0.665492D+00  0.117416D+01 -0.190447D+01
                21            22            23            24            25 
      1  -0.687781D+00 -0.302132D+01  0.181509D+02  0.631325D+01 -0.370153D+01
      2   0.887992D+00  0.514845D+00 -0.267601D+02 -0.122687D+01  0.383803D+01
      3  -0.200211D+00  0.250648D+01  0.860920D+01 -0.508638D+01 -0.136501D+00
      4  -0.901804D-01 -0.831911D+01  0.348964D+01 -0.698907D-01 -0.712717D+01
      5  -0.731052D+01 -0.997668D+01 -0.389081D+01  0.346721D+01 -0.106319D+01
      6  -0.756903D+00 -0.347852D+00 -0.185256D+02 -0.116000D+02 -0.196033D+00
                26            27            28            29            30 
      1   0.812274D+01  0.289435D+01  0.124850D+01 -0.110112D+01 -0.111352D+01
      2  -0.146841D+02 -0.599329D+01  0.282740D+01  0.176374D+01  0.186736D+00
      3   0.656136D+01  0.309893D+01 -0.407590D+01 -0.662619D+00  0.926788D+00
      4  -0.684502D+00  0.254401D+01  0.150158D+01  0.125832D+02  0.350244D+01
      5   0.173298D+01 -0.161587D+00 -0.948719D-01  0.308228D+01  0.716867D+01
      6  -0.328722D+01 -0.111194D+02  0.439761D+01  0.672683D+00  0.148145D+01
                31            32            33            34            35 
      1   0.172261D+01 -0.428401D+02 -0.149290D+02  0.459794D+00 -0.172658D+02
      2  -0.481868D+00  0.635976D+02  0.118560D+02 -0.997122D+00  0.134943D+02
      3  -0.124075D+01 -0.207575D+02  0.307302D+01  0.537328D+00  0.377151D+01
      4   0.152233D+02  0.899629D-01 -0.770365D+00  0.543398D+01 -0.903454D+00
      5   0.506458D+01  0.184691D+01  0.108575D+01  0.815847D+01  0.226388D+01
      6  -0.235264D+00  0.296466D+02  0.234976D+02  0.101619D+01  0.255468D+02
                36            37            38            39            40 
      1  -0.183485D+02  0.134604D+02  0.240360D+01  0.627466D+00 -0.527916D+01
      2   0.790728D+01 -0.441161D+01 -0.198949D+01  0.138274D+01  0.612715D+01
      3   0.104412D+02 -0.904882D+01 -0.414106D+00 -0.201021D+01 -0.847981D+00
      4  -0.318791D+00 -0.394314D+01  0.893876D+01  0.109473D+02  0.584852D+01
      5   0.257204D+01 -0.516289D+01  0.929017D+01 -0.736382D+01  0.155324D+02
      6   0.233544D+02  0.502002D+01 -0.983412D+00 -0.769729D+01  0.156677D+01
                41            42            43            44            45 
      1   0.856289D+01  0.114209D+02 -0.817633D+00  0.127569D+02 -0.139814D+02
      2  -0.418604D+01 -0.108666D+02 -0.453069D+00 -0.969721D+01  0.934446D+01
      3  -0.437685D+01 -0.554345D+00  0.127070D+01 -0.305965D+01  0.463694D+01
      4  -0.208856D+01  0.449863D+01  0.155569D+02  0.867663D+00 -0.445850D+01
      5   0.424611D+01 -0.972237D+01 -0.166743D+02 -0.209063D+01 -0.158788D+01
      6   0.682166D+00 -0.174541D+01 -0.474900D+01 -0.171853D+01  0.642974D+01
                46            47            48            49            50 
      1  -0.899679D+00 -0.602622D+01 -0.890816D+01 -0.876139D+01 -0.487166D+01
      2   0.473751D+01  0.260901D+01  0.123382D+02  0.370242D+01  0.456863D+01
      3  -0.383783D+01  0.341721D+01 -0.343007D+01  0.505897D+01  0.303031D+00
      4   0.661722D+01 -0.529641D+01 -0.713027D+01 -0.652534D+01  0.598585D+01
      5   0.299138D+01 -0.216025D+01 -0.745489D+01 -0.341980D+01  0.457596D+01
      6  -0.439019D+01  0.159522D+02  0.624668D+01  0.126080D+02 -0.315845D+01
                51            52            53            54            55 
      1  -0.180320D+01 -0.867507D+01 -0.423747D+01  0.490547D+01 -0.172614D-01
      2   0.404555D+01  0.109542D+02  0.699048D+01 -0.562832D+01  0.841926D+00
      3  -0.224235D+01 -0.227909D+01 -0.275301D+01  0.722846D+00 -0.824665D+00
      4   0.863218D+01 -0.117546D+02  0.989765D+01  0.484409D+01  0.179384D-01
      5   0.523598D+01 -0.367630D+01  0.577167D+01  0.215787D+01 -0.188712D+01
      6  -0.635813D+01  0.730213D+01 -0.774339D+01 -0.486496D+01  0.389829D+01
                56            57            58            59            60 
      1   0.843065D+01  0.105113D+02  0.112686D+02  0.124087D+02  0.258873D+01
      2  -0.178433D+02 -0.153120D+02 -0.163567D+02 -0.253328D+02 -0.898194D+01
      3   0.941269D+01  0.480070D+01  0.508812D+01  0.129242D+02  0.639321D+01
      4  -0.578316D+01  0.343266D+01 -0.237668D+01 -0.117278D+02 -0.965973D+01
      5  -0.131155D+01 -0.322730D+01 -0.248981D+01 -0.375758D+01  0.202968D+01
      6  -0.161292D+02  0.990800D+01 -0.112323D+02 -0.781472D+01 -0.892503D+00
                61            62            63            64            65 
      1   0.111150D+02  0.553365D+01  0.229815D+01 -0.246360D+02 -0.224833D+02
      2  -0.151002D+02 -0.138223D+02 -0.280755D+01  0.199904D+02  0.123408D+02
      3   0.398517D+01  0.828863D+01  0.509402D+00  0.464563D+01  0.101426D+02
      4   0.545939D+01 -0.130017D+02  0.570174D+01 -0.225638D+02  0.352651D+01
      5  -0.363364D+01  0.171726D+01 -0.381828D+01 -0.739861D+01 -0.109022D+02
      6   0.981996D+01 -0.582592D+01  0.495713D+01 -0.310905D+01  0.410938D+01
                66            67            68            69            70 
      1  -0.919694D+01 -0.306247D+02  0.462284D+01 -0.157795D+02 -0.815730D+01
      2   0.755704D+01  0.173940D+02 -0.552314D+01  0.118345D+02  0.600065D+01
      3   0.163990D+01  0.132308D+02  0.900298D+00  0.394502D+01  0.215665D+01
      4  -0.821968D+01 -0.192316D+01  0.105656D+02 -0.518373D+01 -0.104755D+02
      5  -0.769433D+01 -0.140168D+02 -0.806107D+01  0.212013D+02 -0.137496D+02
      6   0.145263D+01  0.187246D+01  0.747149D+01 -0.150832D+02  0.833029D+01
                71            72            73            74            75 
      1  -0.156106D+02  0.304151D-01  0.175146D+01  0.208154D+01 -0.349547D+01
      2   0.118905D+02 -0.664495D+01 -0.372239D+01 -0.195782D+01  0.914357D+00
      3   0.372005D+01  0.661453D+01  0.197093D+01 -0.123724D+00  0.258111D+01
      4  -0.414402D+01  0.227180D+02  0.249605D+01  0.161053D+01 -0.106784D+01
      5   0.227191D+02  0.114269D+02 -0.344665D+01 -0.465429D+00  0.488328D+01
      6  -0.167407D+02 -0.316474D+01 -0.127316D+01  0.215720D+00 -0.827018D+00
                76            77            78            79            80 
      1   0.798597D+00 -0.176789D+01 -0.186561D+01 -0.171190D+01  0.406116D+00
      2   0.550853D+00 -0.148396D+01 -0.606858D+01  0.531645D+01 -0.413077D+01
      3  -0.134945D+01  0.325185D+01  0.793419D+01 -0.360456D+01  0.372466D+01
      4   0.245531D+01 -0.214555D+01 -0.201989D+01 -0.190169D+01 -0.248145D+01
      5   0.165213D+01 -0.195237D+01 -0.585438D+01  0.891564D+01 -0.147968D+01
      6  -0.809262D+00  0.170844D+01  0.381474D+01  0.123572D+01  0.470277D+01
                81            82            83            84            85 
      1  -0.162486D+02  0.420825D+02  0.118188D+02 -0.361476D+01  0.931726D+01
      2  -0.231150D+02 -0.169719D+02 -0.156250D+01  0.312085D+01  0.249461D+00
      3   0.393637D+02 -0.251106D+02 -0.102563D+02  0.493909D+00 -0.956672D+01
      4   0.155106D+00  0.348038D+02  0.210367D+02 -0.580600D+01  0.187359D+02
      5  -0.219048D+02 -0.170657D+02 -0.828031D+01  0.903548D+01 -0.546765D+01
      6  -0.918446D+01 -0.855172D+01 -0.645997D+01  0.475134D+01 -0.426522D+01
                86            87            88            89            90 
      1   0.486719D+01 -0.140699D+01  0.406499D+01  0.150552D+00  0.248938D+01
      2   0.387679D+01  0.202928D+00  0.559664D-01  0.880962D+00 -0.400643D+01
      3  -0.874398D+01  0.120406D+01 -0.412095D+01 -0.103151D+01  0.151706D+01
      4   0.147385D+02 -0.244560D+01  0.161471D+01  0.253484D+01  0.350995D+01
      5  -0.304652D+01  0.237750D+01  0.650832D+01  0.176203D+01 -0.330820D+01
      6  -0.396229D+01  0.280144D+01  0.301863D+01  0.155251D+01 -0.104768D+01
                91            92            93            94            95 
      1  -0.184984D+02  0.831064D+01  0.177111D+02  0.156473D+02 -0.119050D+02
      2   0.125126D+02 -0.152032D+02 -0.628088D+01 -0.247075D+02 -0.454855D+01
      3   0.598573D+01  0.689257D+01 -0.114302D+02  0.906027D+01  0.164535D+02
      4   0.897986D+01 -0.974436D+01 -0.122979D+02 -0.128215D+02 -0.173026D+02
      5   0.155201D+02 -0.177771D+02  0.437627D+01 -0.261895D+02 -0.158873D+01
      6  -0.714876D+01  0.162555D+00  0.131170D+02 -0.105707D+01  0.533929D+00
                96            97            98            99           100 
      1  -0.178796D+02  0.140810D+02 -0.147704D+02  0.191350D+02 -0.157029D+02
      2   0.868061D+01 -0.469191D+01  0.328852D+01 -0.479933D+01  0.115142D+01
      3   0.919898D+01 -0.938905D+01  0.114819D+02 -0.143357D+02  0.145515D+02
      4  -0.887572D+01 -0.173762D+02 -0.107067D+02  0.706209D+01  0.126069D+02
      5   0.129558D+02  0.942016D+01  0.612007D+01 -0.665799D+00 -0.430266D+00
      6   0.362047D+01  0.131678D+02  0.205708D+01  0.176963D+01 -0.328857D+00
               101           102           103           104           105 
      1   0.132350D+02 -0.404843D+01  0.155688D+02 -0.182020D+02 -0.158012D+02
      2   0.166933D+01 -0.514979D+01 -0.469644D-01  0.109098D+02  0.587104D+01
      3  -0.149043D+02  0.919822D+01 -0.155218D+02  0.729219D+01  0.993013D+01
      4  -0.203423D+02 -0.116549D+02 -0.269391D+02 -0.301581D+01 -0.880998D+01
      5  -0.923644D+01  0.125940D+02 -0.123878D+02 -0.139207D+02 -0.438620D+01
      6  -0.641983D+01 -0.623227D+01 -0.104167D+02 -0.437438D+01 -0.611804D+01
               106           107           108           109           110 
      1   0.142348D+01 -0.185879D+02  0.192244D+02 -0.152200D+00  0.321384D+01
      2  -0.707570D+01  0.776849D+01 -0.728633D+01 -0.387388D+01  0.519603D+01
      3   0.565222D+01  0.108194D+02 -0.119381D+02  0.402608D+01 -0.840987D+01
      4  -0.173845D+02 -0.394811D+01 -0.261902D+01 -0.767742D+01 -0.559646D+01
      5   0.164688D+02 -0.589961D+01  0.333953D+01 -0.415553D+01 -0.137339D+02
      6  -0.957282D+01 -0.331736D+01  0.690200D+00 -0.807883D+01 -0.113191D+02
               111           112           113           114           115 
      1   0.497496D+01  0.980450D+00  0.468012D+00 -0.973485D+01  0.547908D+01
      2  -0.538594D+01  0.572319D+01  0.260420D+01 -0.591453D+01 -0.634924D+01
      3   0.410985D+00 -0.670364D+01 -0.307221D+01  0.156494D+02  0.870159D+00
      4  -0.851159D+01 -0.829274D+01 -0.309052D+01 -0.709259D+01 -0.780166D+01
      5  -0.313664D+01 -0.139793D+02 -0.885729D+01 -0.533540D+01 -0.506218D+01
      6  -0.119684D+02 -0.991872D+01 -0.499028D+01 -0.563946D+01 -0.809391D+01
               116           117           118           119           120 
      1  -0.102143D+02 -0.349034D+01  0.355431D+01  0.272963D+01  0.180857D+01
      2  -0.529678D+01  0.543857D+01 -0.151883D+01 -0.506697D+01 -0.232636D+00
      3   0.155111D+02 -0.194823D+01 -0.203548D+01  0.233734D+01 -0.157593D+01
      4  -0.564305D+01  0.342209D+01 -0.153808D+02  0.133101D+02  0.977960D+01
      5  -0.176431D+01 -0.209674D+01 -0.119167D+02  0.778018D+01  0.110467D+02
      6  -0.334606D+01  0.631057D+01  0.105884D+02 -0.100361D+02 -0.971322D+01
               121           122           123           124           125 
      1   0.430274D+01 -0.100147D+02 -0.602072D+01  0.270428D+01 -0.639570D+01
      2  -0.626413D+01  0.140447D+02  0.467704D+01 -0.623633D+00  0.323599D+01
      3   0.196140D+01 -0.403002D+01  0.134368D+01 -0.208065D+01  0.315971D+01
      4   0.113613D+02 -0.140513D+02 -0.837126D+01  0.854688D+01 -0.862108D+01
      5   0.630918D+01 -0.754463D+01 -0.611335D+01  0.978485D+01 -0.728300D+01
      6  -0.968388D+01  0.151971D+02  0.131156D+02 -0.991945D+01  0.141888D+02
               126           127           128           129           130 
      1  -0.863938D+01 -0.227619D+01 -0.747860D+01 -0.131551D+01 -0.553575D+01
      2   0.621801D-01  0.893122D+01  0.184845D+02  0.325768D+01  0.130946D+02
      3   0.857720D+01 -0.665503D+01 -0.110059D+02 -0.194217D+01 -0.755886D+01
      4  -0.959572D+01  0.944100D+01  0.157955D+02  0.160084D+01  0.113472D+02
      5  -0.102986D+02  0.577892D+00  0.831064D+00  0.284776D+01  0.126054D+00
      6   0.163068D+02  0.110210D+01  0.293867D+01  0.178642D+01  0.239391D+01
               131           132           133           134           135 
      1  -0.333620D+02 -0.424365D+01 -0.246159D+01 -0.102261D+02 -0.571418D+01
      2   0.643568D+02  0.842170D+01  0.487555D+01  0.190407D+02  0.829404D+01
      3  -0.309948D+02 -0.417805D+01 -0.241396D+01 -0.881457D+01 -0.257986D+01
      4   0.190562D+02  0.333002D+01  0.335166D+01  0.641931D+01  0.291912D+01
      5   0.264637D+01  0.133023D+01  0.257397D+01  0.239970D+01  0.159505D+01
      6   0.763900D+01  0.844197D+01  0.186950D+01  0.118173D+02  0.616095D+01
               136           137           138           139           140 
      1  -0.346577D+00  0.612941D+01 -0.489105D+01  0.274600D+01 -0.988446D+01
      2   0.127963D+01 -0.836354D+01  0.487864D+01 -0.398827D+01  0.146608D+02
      3  -0.933056D+00  0.223413D+01  0.124135D-01  0.124227D+01 -0.477629D+01
      4  -0.108122D+02  0.838455D+01 -0.720289D+01  0.605528D+01 -0.504090D+01
      5   0.702908D+01 -0.320376D+01  0.578338D+01 -0.183165D+01  0.381621D+01
      6  -0.878304D+01  0.987108D+01 -0.105891D+02  0.668398D+01 -0.998472D+01
               141           142           143           144           145 
      1   0.564789D+01 -0.474145D+01  0.964107D+01 -0.106629D+02  0.137667D+01
      2  -0.564290D+01  0.314137D+01 -0.865134D+01  0.364932D+01 -0.234093D+00
      3  -0.499583D-02  0.160008D+01 -0.989733D+00  0.701363D+01 -0.114258D+01
      4   0.508585D+01 -0.761508D+01  0.626852D+01 -0.721623D+01 -0.657948D+00
      5  -0.237360D+01  0.707470D+01 -0.322021D+01  0.559978D+01  0.308506D+01
      6   0.996252D+01 -0.986663D+01  0.153861D+02 -0.203337D+02 -0.231259D+01
               146           147           148           149           150 
      1  -0.283518D+01  0.502352D+01 -0.251308D+01 -0.109311D+02  0.802145D+01
      2   0.190464D+01 -0.248845D+01 -0.181651D+01  0.203146D+02 -0.891136D+01
      3   0.930539D+00 -0.253507D+01  0.432959D+01 -0.938354D+01  0.889906D+00
      4   0.308095D+01 -0.177282D+01  0.118709D+02 -0.265118D+02  0.125262D+02
      5  -0.745731D+00  0.194644D+01 -0.369491D+01  0.136637D+02 -0.141015D+02
      6  -0.120745D+01  0.869954D+00  0.298838D+01 -0.163742D+02  0.141998D+02
               151           152           153           154           155 
      1   0.675266D+01  0.815296D+01 -0.725144D+01  0.649391D+02  0.122203D+02
      2  -0.291282D+01 -0.918238D+01  0.376044D+01 -0.379724D+02 -0.823812D+01
      3  -0.383984D+01  0.102942D+01  0.349101D+01 -0.269667D+02 -0.398220D+01
      4  -0.698780D+01  0.156876D+02 -0.135679D+02  0.384461D+01  0.895650D+01
      5   0.838942D+01 -0.151998D+02  0.146418D+02  0.151577D+02  0.329741D+01
      6  -0.414381D+01  0.156643D+02 -0.142126D+02 -0.860278D+00  0.435497D+00
               156           157           158           159           160 
      1   0.104683D+02  0.306443D+02  0.947189D+01  0.550401D+01  0.135233D+02
      2  -0.747277D+01 -0.181932D+02 -0.555610D+01 -0.472096D+01 -0.968396D+01
      3  -0.299553D+01 -0.124511D+02 -0.391579D+01 -0.783048D+00 -0.383931D+01
      4   0.128557D+01  0.938941D+01  0.100253D+02  0.293186D+01  0.147619D+01
      5   0.115463D+02  0.790620D+01  0.417788D+01  0.485173D+01  0.145838D+02
      6  -0.137098D+01  0.459692D+00  0.390724D+00  0.201706D+01 -0.149633D+01
               161           162           163           164           165 
      1   0.370056D+01  0.808198D+01  0.108235D+02 -0.222332D+01 -0.515747D+01
      2  -0.347919D+01 -0.592097D+01 -0.546224D+01 -0.432925D+00  0.177227D+01
      3  -0.221361D+00 -0.216101D+01 -0.536125D+01  0.265624D+01  0.338520D+01
      4   0.354396D+01 -0.909884D+00 -0.592709D+01  0.641228D+01  0.715141D+01
      5   0.451544D+00  0.638928D+01 -0.727023D+01  0.610782D+01  0.923505D+01
      6   0.322880D+01  0.874030D-02  0.424925D+01 -0.274409D+01 -0.335654D+01
               166           167           168           169           170 
      1  -0.231764D+01 -0.130653D+00  0.191569D+01 -0.126815D+02  0.360566D+01
      2  -0.220518D+01  0.630277D+01  0.166051D+01  0.581233D+01  0.144766D+01
      3   0.452282D+01 -0.617211D+01 -0.357620D+01  0.686919D+01 -0.505332D+01
      4   0.120318D+02 -0.158421D+02 -0.911698D+01  0.149118D+02 -0.147865D+02
      5   0.731754D+01 -0.810025D+01 -0.124106D+02  0.165334D+02 -0.149616D+02
      6  -0.424899D+01  0.649635D+01  0.103239D+02 -0.772785D+01  0.114131D+02
               171           172           173           174           175 
      1   0.179333D+01 -0.548634D+01  0.211287D+01 -0.114478D+02  0.362143D+00
      2  -0.327978D+01 -0.297423D+00 -0.280041D+00  0.697918D-01  0.148401D+01
      3   0.148645D+01  0.578376D+01 -0.183283D+01  0.113780D+02 -0.184615D+01
      4  -0.153769D+02 -0.304425D+01 -0.502473D+00  0.794595D+00  0.263372D+01
      5  -0.288979D+02  0.137794D+01  0.298543D+01 -0.247522D+01  0.167962D+01
      6   0.157874D+02 -0.128842D+01  0.414915D+01 -0.651268D+01  0.163321D+01
               176           177           178           179           180 
      1  -0.455068D+01  0.784189D+01 -0.100277D+02  0.771404D+01 -0.242437D+02
      2   0.229598D+01 -0.218714D+01  0.203627D+01 -0.105985D+01 -0.820037D+01
      3   0.225469D+01 -0.565475D+01  0.799147D+01 -0.665418D+01  0.324441D+02
      4   0.354319D+01 -0.206427D+01 -0.132026D+01 -0.276964D+01  0.247071D+01
      5  -0.243104D+01  0.173073D+01  0.380677D+01  0.413401D+01 -0.166873D+02
      6  -0.571030D+01  0.842570D+01 -0.282003D+01  0.888295D+01 -0.154120D+02
               181           182           183           184           185 
      1   0.117612D+02  0.634144D+01 -0.550274D+00  0.846747D+01  0.211205D+01
      2  -0.146527D+01  0.365305D+01  0.968750D+00  0.573977D+01  0.199250D+02
      3  -0.102959D+02 -0.999450D+01 -0.418476D+00 -0.142072D+02 -0.220371D+02
      4   0.127071D+02  0.160002D+02  0.231847D+01  0.226534D+02  0.348567D+02
      5  -0.295297D+01  0.125286D+00  0.271980D+01 -0.159902D+01 -0.182040D+01
      6  -0.112595D+01 -0.286290D+01 -0.102991D+00 -0.457078D+01 -0.905722D+01
               186           187           188           189           190 
      1   0.276867D+01  0.461859D+01  0.363419D+01 -0.101486D+01  0.474596D+02
      2   0.179714D+01  0.687597D-01  0.358805D+01  0.207902D+01 -0.319197D+02
      3  -0.456580D+01 -0.468735D+01 -0.722224D+01 -0.106417D+01 -0.155399D+02
      4   0.122910D+01  0.823652D+01  0.889826D+01  0.342705D+01 -0.571970D+01
      5   0.558443D+01  0.160803D+01  0.305396D+01  0.369333D+01 -0.303280D+02
      6   0.468410D+01  0.191852D-01  0.236104D+01  0.135045D+01  0.313669D+01
               191           192           193           194           195 
      1  -0.105250D+02 -0.137068D+02 -0.221939D+02  0.933037D+01  0.684598D+01
      2   0.881230D+01  0.127057D+02  0.169548D+02 -0.488547D+01 -0.785608D+01
      3   0.171267D+01  0.100113D+01  0.523908D+01 -0.444490D+01  0.101009D+01
      4   0.980480D+01  0.230263D+01  0.109608D+02 -0.812289D+01 -0.287714D+01
      5   0.712290D+01  0.175065D+02  0.175175D+02 -0.697388D+01 -0.125799D+02
      6  -0.435947D+01 -0.141693D+01 -0.442891D+01  0.504741D+01  0.238557D+01
               196           197           198           199           200 
      1  -0.856075D+01  0.288057D+01  0.451403D+01 -0.568307D+01 -0.527139D+01
      2   0.985448D+01 -0.286914D+01 -0.846323D+01  0.203592D+01  0.152874D+01
      3  -0.129373D+01 -0.114311D-01  0.394921D+01  0.364715D+01  0.374265D+01
      4   0.308604D+01 -0.113872D+01 -0.279782D+01 -0.890380D+00  0.114863D+01
      5   0.148414D+02 -0.494060D+01 -0.123371D+02 -0.234670D+01  0.654453D+00
      6  -0.236125D+01  0.225333D+01  0.647845D+00 -0.200244D+01 -0.203067D+01
               201           202           203           204           205 
      1   0.837480D+01 -0.622917D+01 -0.441668D+01  0.760016D+01  0.756581D+01
      2   0.227664D+01  0.287242D+01  0.120232D+01  0.410436D+00 -0.144985D+01
      3  -0.106514D+02  0.335675D+01  0.321436D+01 -0.801060D+01 -0.611596D+01
      4   0.177214D+01  0.399358D+01 -0.341298D+01  0.469321D+01  0.804586D+00
      5  -0.338979D+01 -0.115291D+01  0.428081D+01 -0.517031D+01  0.322056D+01
      6   0.257884D+01 -0.516623D+00 -0.508555D+01  0.777799D+01  0.261788D+01
               206           207           208           209           210 
      1   0.887514D+01 -0.208402D+02  0.428404D+02 -0.166405D+02  0.495412D+00
      2  -0.710260D+00 -0.874913D+01 -0.176924D+02  0.389367D+01 -0.155355D+01
      3  -0.816488D+01  0.295894D+02 -0.251479D+02  0.127468D+02  0.105814D+01
      4   0.453896D+01 -0.494148D+01 -0.248173D+02  0.191139D+02  0.860940D-01
      5  -0.418877D+01  0.157783D+02  0.100176D+02 -0.324672D+01  0.687000D+01
      6   0.770475D+01 -0.982972D+01 -0.531728D+01  0.507093D+01 -0.125833D+01
               211           212           213           214           215 
      1  -0.225171D+02  0.129221D+02  0.146320D+01 -0.103825D+02  0.502827D+01
      2   0.588392D+01  0.179016D+00  0.135672D+01  0.382113D+01 -0.247750D+00
      3   0.166331D+02 -0.131011D+02 -0.281992D+01  0.656140D+01 -0.478052D+01
      4   0.248740D+02 -0.211609D+02  0.168647D+01  0.634212D+01 -0.426057D+01
      5  -0.540393D+01  0.502249D+01 -0.572311D+01  0.397703D+01 -0.271095D+01
      6   0.619465D+01 -0.479046D+01  0.369891D+01 -0.527312D+00  0.181892D+01
               216           217           218           219           220 
      1   0.205581D+01  0.171744D+02  0.664685D+01  0.606674D+01  0.134213D+02
      2  -0.810358D+00 -0.974300D+01 -0.496248D+01 -0.491042D+01 -0.890892D+01
      3  -0.124545D+01 -0.743136D+01 -0.168437D+01 -0.115632D+01 -0.451243D+01
      4  -0.388317D+01  0.974918D+01  0.126652D+02  0.591654D+01  0.181022D+02
      5  -0.260803D+01  0.124724D+02  0.820668D+01  0.844872D+01  0.154322D+02
      6   0.318484D-02  0.492650D+01  0.537266D+01  0.405185D+01  0.863495D+01
               221           222           223           224           225 
      1   0.753979D+01  0.441121D+01  0.390980D+01  0.263411D+01 -0.126744D+00
      2  -0.266059D+01 -0.633074D+01 -0.502297D+01 -0.388439D+01 -0.525666D+01
      3  -0.487920D+01  0.191954D+01  0.111317D+01  0.125028D+01  0.538341D+01
      4   0.213417D+02  0.949178D+01  0.641564D+01  0.613143D+01  0.691827D+01
      5   0.120380D+02  0.144417D+02  0.937680D+01  0.840853D+01  0.111110D+02
      6   0.126181D+02  0.846005D+01  0.508090D+01  0.655266D+01  0.532981D+01
               226           227           228           229           230 
      1  -0.730332D+00 -0.455672D+00  0.197235D+01 -0.102654D+01 -0.465154D+01
      2  -0.231057D+01 -0.151435D+01  0.215478D+01 -0.175878D+00 -0.341498D+01
      3   0.304090D+01  0.197002D+01 -0.412713D+01  0.120242D+01  0.806652D+01
      4   0.519632D+00  0.202643D+01  0.312951D+00  0.277040D+01 -0.243229D+01
      5  -0.137933D+01 -0.112624D+01  0.497618D+01 -0.241449D+01  0.273693D+01
      6  -0.126019D+01  0.218363D-01  0.809387D+00  0.234832D+00 -0.825182D+01
               231           232           233           234           235 
      1   0.847290D+01  0.836222D+00  0.593168D+01 -0.164549D+02  0.809203D+01
      2   0.777752D+01  0.754303D+00  0.567899D+01 -0.176355D+02 -0.599008D+01
      3  -0.162504D+02 -0.159052D+01 -0.116107D+02  0.340904D+02 -0.210195D+01
      4   0.309801D+01  0.756044D-01  0.174201D+01 -0.210509D+01  0.143221D+02
      5  -0.390319D+01  0.591190D+01 -0.108050D+01  0.626747D+01  0.183309D+02
      6   0.100910D+02  0.175034D+01  0.817600D+01 -0.719790D+01  0.109471D+02
               236           237           238           239           240 
      1   0.798434D+00 -0.134404D+00 -0.242751D-01 -0.519564D+01 -0.349215D+01
      2  -0.117712D+01 -0.500812D+01  0.761772D-01  0.557986D+01  0.160365D+00
      3   0.378684D+00  0.514253D+01 -0.519021D-01 -0.384217D+00  0.333178D+01
      4   0.120701D+02  0.883756D+01  0.125486D+02  0.136937D+02  0.877496D+01
      5   0.115500D+02  0.153606D+02  0.119263D+02  0.107440D+02  0.102027D+02
      6   0.977822D+01  0.101182D+02  0.108029D+02  0.149623D+02  0.129106D+02
               241           242           243 
      1  -0.190466D+01 -0.259159D+01 -0.463867D+01
      2  -0.304004D+01 -0.281978D+00 -0.511222D+01
      3   0.494470D+01  0.287357D+01  0.975088D+01
      4   0.592036D+01  0.514597D+01  0.630105D+01
      5   0.104806D+02  0.721640D+01  0.119174D+02
      6   0.777240D+01  0.910247D+01  0.989561D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.482446D-01      0.122626D+00      0.409035D+00
   y          0.104100D+01      0.264595D+01      0.882594D+01
   z          0.510078D+00      0.129649D+01      0.432462D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121387D+03      0.179878D+02      0.200141D+02
   yx         0.337563D+00      0.500217D-01      0.556567D-01
   yy         0.111185D+03      0.164759D+02      0.183319D+02
   zx        -0.360708D+00     -0.534514D-01     -0.594727D-01
   zy         0.324921D+00      0.481483D-01      0.535723D-01
   zz         0.102705D+03      0.152193D+02      0.169338D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116068D+03      0.171995D+02      0.191370D+02
   aniso      0.169125D+02      0.250617D+01      0.278849D+01
   xx         0.125925D+03      0.186602D+02      0.207623D+02
   yx         0.304251D+00      0.450853D-01      0.501642D-01
   yy         0.115787D+03      0.171578D+02      0.190906D+02
   zx        -0.523016D+00     -0.775029D-01     -0.862336D-01
   zy         0.712509D+00      0.105583D+00      0.117477D+00
   zz         0.106492D+03      0.157805D+02      0.175582D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.37273059         -0.39284393         -0.14543919
     6          2.56748015          2.28375909          1.08094472
     6          0.04482988         -0.21999586         -1.83706040
     8          0.01351305         -0.13754316         -4.11284856
     6         -2.29178732         -0.13756716         -0.09791152
     6         -0.99941665         -0.17083076          2.54017956
     6          0.37571512          2.34619555          3.03171297
     6          4.73674481         -1.31377568         -1.45017344
     1          2.43759292          3.77861554         -0.33179074
     1          4.40761427          2.46296671          1.99351322
     6         -3.89509641         -2.52047651         -0.52525484
     6         -3.91720947          2.17972346         -0.68424940
     6          1.28076777         -1.92528972          2.08316302
     1         -2.28234483         -0.73311803          4.04964969
     1          1.11140923          2.37128634          4.95683675
     1         -0.83808699          3.99259598          2.82964710
     1          4.47330694         -3.21319829         -2.20875511
     1          6.32952772         -1.35221876         -0.13896163
     1          5.22174688         -0.08076998         -3.02958415
     1         -2.87559879         -4.25264349         -0.07910120
     1         -4.48924920         -2.62448519         -2.49517623
     1         -5.58118633         -2.44807464          0.66265947
     1         -2.84398557          3.93492834         -0.62574479
     1         -5.47351840          2.32845412          0.66386739
     1         -4.71206762          2.00619565         -2.57664805
     1          0.78429932         -3.85578962          1.56845689
     1          2.57389865         -1.98777706          3.68845341

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.116025D+01      0.294906D+01      0.983702D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.116025D+01      0.294906D+01      0.983702D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111759D+03      0.165610D+02      0.184266D+02
   aniso      0.162347D+02      0.240573D+01      0.267674D+01
   xx         0.121362D+03      0.179839D+02      0.200098D+02
   yx        -0.107125D+00     -0.158742D-01     -0.176625D-01
   yy         0.104084D+03      0.154237D+02      0.171611D+02
   zx         0.707298D+00      0.104811D+00      0.116618D+00
   zy         0.315101D+01      0.466931D+00      0.519531D+00
   zz         0.109832D+03      0.162754D+02      0.181088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116068D+03      0.171995D+02      0.191370D+02
   aniso      0.169125D+02      0.250617D+01      0.278849D+01
   xx         0.125914D+03      0.186585D+02      0.207604D+02
   yx        -0.336952D-02     -0.499312D-03     -0.555560D-03
   yy         0.107716D+03      0.159619D+02      0.177601D+02
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 AND THIS OUR LIFE, EXEMPT FROM PUBLIC HAUNT,
 FINDS TONGUES IN TREES, BOOKS IN THE RUNNING BROOKS,
 SERMONS IN STONES, AND GOOD IN EVERYTHING.
 I WOULD NOT CHANGE IT. -- W. SHAKESPEARE
 AS YOU LIKE IT, ACT II, SCENE 1.
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 Normal termination of Gaussian 16 at Fri Jul 16 13:58:53 2021.
